DMSO Test (CAS 67-68-5)

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🧬 Wizualizator molekuły 3D
Ładowanie molekuły...
Model 3D Dimethyl Sulfoxide, CAS 67-68-5, wzór sumaryczny C2H6OS, masa molowa 78.14 g/mol
Przegląd chemiczny: Dimethyl SulfoxideMolGod_OVERVIEW_1
Wzór sumarycznyC2H6OS
Masa cząsteczkowa78.14 g/mol
Temperatura topnienia18.5 °C
Temperatura wrzenia189 °C
Gęstość1.0958 g/cm³
LogP (lipofilowość)-1.35
pKa35
Nazwa IUPACmethylsulfinylmethane
SMILESCS(=O)C
InChIKeyIAZDPXIOMUYVGZ-UHFFFAOYSA-N

Synonimy: dimethyl sulfoxide · 67-68-5 · DMSO · Methylsulfinylmethane · Methyl sulfoxide

Data sources: PubChem (NLM/NIH), Yaws Handbook 2nd ed. (2014)
Last updated: 2026-06-30

📊 Physical & Chemical Properties

Quick Reference

Formula: C2H6OS
MW: 78.14 g/mol
CAS: 67-68-5

Detailed Properties

Property Value Unit Conditions Source
Gęstość (ρ) 1.0958 g/cm³ 25°C Yaws Handbook 2nd ed. (2014)
Temperatura topnienia (mp) 18.50 °C 1 atm Yaws Handbook 2nd ed. (2014)
Temperatura wrzenia (bp) 189.00 °C 1 atm Yaws Handbook 2nd ed. (2014)
Temperatura zapłonu 87.00 °C closed cup Yaws Handbook 2nd ed. (2014)
Prężność par 0.420 mmHg 20°C Yaws Handbook 2nd ed. (2014)
Rozpuszczalność w wodzie miscible g/L 20°C Yaws Handbook 2nd ed. (2014)
Lepkość (η) 1.991 cP 25°C Yaws Handbook 2nd ed. (2014)
Współczynnik załamania światła (nD) 1.4793 20°C, D-line Yaws Handbook 2nd ed. (2014)
pKa 35.000 25°C Yaws Handbook 2nd ed. (2014)
🔬 Advanced Properties
Napięcie powierzchniowe 43.540 mN/m 20°C
Stała dielektryczna (ε) 46.700 25°C
Pojemność cieplna (Cp) 1.950 J/(g·K) 25°C

Chemical Identifiers

SMILES: CS(=O)C

Data sources: PubChem, NIST Chemistry WebBook, CRC Handbook of Chemistry and Physics (103rd ed.)

Last updated: 2026-06-25

Status regulacyjny substancji
Ta substancja podlega wymogom regulacyjnym: gospodarka odpadami niebezpiecznymi (BDO). Szczegoly w sekcji "Status regulacyjny (REACH/ECHA/CLP)" oraz na karcie SDS. Informacja regulacyjna — nie ogranicza zakupu w sklepie.
🧮 Kalkulator stechiometrycznyMolGod_STOICH_1
🧪 Dane chemiczneMolGod_CHEMDATA_1
Numer CAS
67-68-5
Wzór sumaryczny
C2H6OS
Masa molowa
78.14 g/mol
Nazwy polskie
dimetylosulfotlenek · DMSO
Nazwa IUPAC (EN)
methylsulfinylmethane
SMILES
CS(=O)C
InChIKey
IAZDPXIOMUYVGZ-UHFFFAOYSA-N
🔍 Identyfikatory zewnętrzneMolGod_EXTID_1
14 z 16 systemów ID88%
BazaIdentyfikatorAkcje
CAS Registry Number67-68-5Otwórz →
PubChem CID679Otwórz →
InChIKeyIAZDPXIOMUYVGZ-UHFFFAOYSA-NOtwórz →
InChIInChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILESCS(=O)C
EC Number200-664-3Otwórz →
DrugBankDB01093Otwórz →
KEGG CompoundD01043Otwórz →
HMDBHMDB0002151Otwórz →
ChemSpider659Otwórz →
MeSH UID (NLM)D004121Otwórz →
UNII (FDA)YOW8V9698HOtwórz →
NSC Number (NCI)763Otwórz →
WikiData QIDQ407927Otwórz →

Źródła: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📡 Spektroskopia — CAS 67-68-5MolGod_SPECHUB_MAIN
MolGod_SPECREF_SP1
📊 Spectra (NMR, IR, MS, UV-Vis) (2)

Available spectrum types: NMR-1H, IR

¹H NMR

0 data points · Source: SDBS Japan (link only)

IR spectrum (KBr, 4000-400 cm⁻¹)

440 data points · Source: NIST WebBook · NIST ↗ · 📥 JCAMP-DX
📋 Peak assignment table
Type Position Intensity Assignment
IR 450 0
IR 458 0
IR 466 0
IR 474 0
IR 482 0
IR 490 0
IR 498 0
IR 506 0
IR 514 0
IR 522 0
IR 530 0
IR 538 0
IR 546 0
IR 554 0
IR 562 0
IR 570 0
IR 578 0
IR 586 0
IR 594 0
IR 602 0
🎓 Spectrum interpretation guide (for students)
How to read a ¹H NMR spectrum
  • 0-1 ppm — alkyl protons (CH₃, CH₂)
  • 1-2.5 ppm — protons adjacent to C=C or C=O
  • 3.5-4 ppm — protons adjacent to O or N (—OCH₃, —NCH₂—)
  • 6.5-8 ppm — aromatic protons
  • 9-10 ppm — aldehyde (—CHO)
  • 10-13 ppm — carboxylic acid (—COOH)
  • Multiplets: singlet/doublet/triplet → number of neighboring H (n+1)
How to read an IR spectrum
  • 3200-3600 cm⁻¹ — O-H stretch (broad peak = hydrogen bonding)
  • 2850-3000 cm⁻¹ — C-H stretch (sp³)
  • 1650-1750 cm⁻¹ — C=O stretch (ketones, aldehydes, esters)
  • 1400-1600 cm⁻¹ — aromatic ring vibrations
  • 1000-1300 cm⁻¹ — C-O stretch (ethers, alcohols)
  • No absorption = no functional group → compare with a reference

Sources: LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Scientific references (Chicago Author-Date) (9 sources)

📚 The book bibliography is awaiting generation. Curated general textbooks are available below; CAS-specific Google Books can be fetched from the admin panel.

  1. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01.
  2. Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01.
  3. Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
  4. Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
  5. Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology.
  6. McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
  7. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01.
📐 Physical & Chemical Properties (DB) 34 fields MolGod Score: Pierwszorzędne
Property Value Unit Conditions Source
Melting point 18.50 [3][6][11] °C 1 atm Yaws Handbook 2nd ed. (2014)
Boiling point 189.00 [3][6][11] °C 760 mmHg Yaws Handbook 2nd ed. (2014)
Water solubility miscible [3] g/L 20°C Yaws Handbook 2nd ed. (2014)
Density (ρ) 1.0958 [3] g/cm³ 25°C Yaws Handbook 2nd ed. (2014)
Refractive index (n_D) 1.4793 [3] 20°C, sodium D Yaws Handbook 2nd ed. (2014)
Viscosity (η) 1.991 [3] cP 25°C Yaws Handbook 2nd ed. (2014)
Vapor pressure 0.420 [3] mmHg 20°C Yaws Handbook 2nd ed. (2014)
Flash point 87.00 [3] °C closed cup Yaws Handbook 2nd ed. (2014)
Autoignition temperature 300.00 [3] °C in air Yaws Handbook 2nd ed. (2014)
pKa₁ 35.000 [3][2][10] 25°C Yaws Handbook 2nd ed. (2014)
logP (octanol/water) -1.350 [3][8][9] 25°C Yaws Handbook 2nd ed. (2014)
logD (pH 7) -1.350 [3][8][9] pH 7.4 Yaws Handbook 2nd ed. (2014)
Dielectric constant (ε) 46.700 [3] 25°C Yaws Handbook 2nd ed. (2014)
Surface tension 43.540 [3] mN/m 20°C Yaws Handbook 2nd ed. (2014)
Specific heat (cp) 1.950 [3] J/(g·K) 25°C Yaws Handbook 2nd ed. (2014)
Thermal conductivity (k) 0.2000 [3] W/(m·K) 25°C Yaws Handbook 2nd ed. (2014)
Dipole moment (μ) 3.960 [3] D gas phase Yaws Handbook 2nd ed. (2014)
ΔH vaporization 52.880 [3][4] kJ/mol NBP Yaws Handbook 2nd ed. (2014)
ΔH fusion 14.300 [3] kJ/mol at mp Yaws Handbook 2nd ed. (2014)
Critical temperature (Tc) 451.00 [3][4] °C critical point Yaws Handbook 2nd ed. (2014)
Critical pressure (Pc) 56.500 [3][4] bar critical point Yaws Handbook 2nd ed. (2014)
Acentric factor (ω) 0.2810 [3][4] Pitzer Yaws Handbook 2nd ed. (2014)
Ethanol solubility miscible [3] g/L 25°C Yaws Handbook 2nd ed. (2014)
📚 Naukowe referencje (Chicago Author-Date) (12 źródeł)
  1. Haynes, William M., ed. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton: CRC Press/Taylor & Francis. ISBN 978-1-032-55554-4.
  2. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01.
  3. Yaws, Carl L. 2014. The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals. 2nd ed. Oxford: Gulf Professional Publishing.
  4. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01.
  5. Marrero, J., and R. Gani. 2001. "Group-Contribution Based Estimation of Pure Component Properties." Fluid Phase Equilibria 183–184: 183–208.
  6. Joback, K. G., and R. C. Reid. 1987. "Estimation of Pure-Component Properties from Group-Contributions." Chemical Engineering Communications 57 (1–6): 233–243.
  7. Sangster, J. 1997. Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry. Chichester: Wiley. ISBN 978-0-471-97397-3.
  8. Mannhold, Raimund, and Han van de Waterbeemd. 2001. "Substructure and Whole Molecule Approaches for Calculating Log P." Journal of Computer-Aided Molecular Design 15 (4): 337–354.
  9. Perrin, Ditlev D., Boyd Dempsey, and E. P. Serjeant. 1981. pKa Prediction for Organic Acids and Bases. London: Chapman and Hall. ISBN 0-412-21090-5.
  10. Constantinou, Leonidas, and Rafiqul Gani. 1994. "New Group Contribution Method for Estimating Properties of Pure Compounds." AIChE Journal 40 (10): 1697–1710.
  11. Ertl, Peter, Bernhard Rohde, and Paul Selzer. 2000. "Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties." Journal of Medicinal Chemistry 43 (20): 3714–3717.
🔄 Konwerter jednostek stężeń LIVE MolGod_UNITCONV_1
/* translators: %s, %d itd. to wartosci dynamiczne wstawiane do komunikatu. */

Wpisz stężenie Dimethyl Sulfoxide w dowolnej jednostce — reszta obliczy się automatycznie.

MW: 78.14 g/mol · IUPAC Gold Book ↗

⚗️ Wzory konwersji + cytacje (per formuła)
KonwersjaWzórDokładnośćŹródło
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliografia (8 źródeł autorytatywnych)
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM ·
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 ·
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 ·
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
🧪 Kreator przygotowania roztworu WIZARD MolGod_PREP_1
① Wybierz stężenie
② Objętość docelowa
③ Rozpuszczalnik

Obliczenia wg: IUPAC Gold Book ↗, Merck ↗

Kompatybilnosc z solwentamiMolGod_SOLV_1

Oszacowanie na podstawie rozpuszczalnosci w wodzie i logP. Dane orientacyjne — nie zastepuja badan eksperymentalnych.

SolwentKompatybilnoscUwagiReferencje
Water+ DobralogP sugeruje hydrofilowosc
EtOH+ DobraEtOH — uniwersalny solwent polarny
Acetone~ UmiarkowanaCzesciowo kompatybilny
DCM- SlabaSlaba kompatybilnosc z polarnymi
DMSO+ DobraDMSO — silny solwent aprotonowy
THF~ UmiarkowanaTHF — ograniczona dla silnie polarnych
Hexane- SlabaPraktycznie nierozpuszczalny w heksanie
CHCl3- SlabaSlaba kompatybilnosc z polarnymi

Zrodla danych dla logP/rozpuszczalnosci: logP: -0.60

📚 Naukowe referencje dla solwentow (Chicago Author-Date) — kliknij aby rozwinac

Kazdy solwent ma 5 niezaleznych zrodel naukowych (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/GESTIS). Pelne cytowania ponizej.

Water · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. International Association for the Properties of Water and Steam (IAPWS). 1997. "Release on the Static Dielectric Constant of Ordinary Water Substance." IAPWS R8-97. [link ↗]
  3. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  4. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834. [link ↗]
  5. IFA. n.d. "Water." GESTIS Substance Database. Institut für Arbeitsschutz der Deutschen Gesetzlichen Unfallversicherung. Accessed April 25, 2026. [link ↗]
EtOH · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  3. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. https://doi.org/10.1016/B978-0-340-64578-9.X5000-9. [link ↗]
  5. IFA. n.d. "Ethanol." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Acetone · NIST CAS lookup ↗
  1. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Acetone." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DCM · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Methane, dichloro- (CAS 75-09-2)." NIST Chemistry WebBook, SRD 69. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. International Agency for Research on Cancer. 1999. "Dichloromethane." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 71: 251–315. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Dichloromethane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DMSO · NIST CAS lookup ↗
  1. Wypych, George. 2019. Handbook of Solvents. Volume 1: Properties. 3rd ed. Toronto: ChemTec Publishing. https://doi.org/10.1016/C2018-0-02235-3. [link ↗]
  2. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. National Institute of Standards and Technology. n.d. "Methane, sulfinylbis- (CAS 67-68-5)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  5. IFA. n.d. "Dimethyl sulfoxide." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
THF · NIST CAS lookup ↗
  1. Armarego, Wilfred L. F., and Christina Li Lin Chai. 2009. Purification of Laboratory Chemicals. 6th ed. Oxford: Butterworth-Heinemann. https://doi.org/10.1016/B978-1-85617-567-8.50003-3. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. National Institute of Standards and Technology. n.d. "Furan, tetrahydro- (CAS 109-99-9)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Tetrahydrofuran." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Hexane · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Hexane (CAS 110-54-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. [link ↗]
  4. Agency for Toxic Substances and Disease Registry. 1999. Toxicological Profile for n-Hexane. Atlanta, GA: U.S. Department of Health and Human Services. [link ↗]
  5. IFA. n.d. "n-Hexane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
CHCl3 · NIST CAS lookup ↗
  1. International Agency for Research on Cancer. 1999. "Chloroform." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 73: 131–182. [link ↗]
  2. National Institute of Standards and Technology. n.d. "Methane, trichloro- (CAS 67-66-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Chloroform." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Teoria rozpuszczalnosci (zastosowane w przewidywaniu kompatybilnosci):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + wzór Ra.
  3. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  5. PubChem Compound Database — CAS 67-68-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Kompletna bibliografia w akordeonie REFERENCJE (na dole strony) — Chicago Manual of Style 17th ed., Author-Date.

🛡️ Bezpieczeństwo — CAS 67-68-5MolGod_SAFEHUB_MAIN
Informacja o ograniczeniach danych. Informacje dotyczące bezpieczeństwa zawarte na tej stronie mają charakter informacyjny i nie zastępują pełnej karty charakterystyki (SDS). Przed użyciem produktu zapoznaj się z aktualną kartą charakterystyki producenta oraz wytycznymi GHS/CLP. Klasyfikacja CLP dotyczy czystej substancji bulk, nie preparatów handlowych.
MolGod_GHS_SF1

Klasyfikacja GHS/CLP — Rozporządzenie (WE) nr 1272/2008 + UN GHS Rev. 9 (2021).

⚠ Uwaga (Warning)
GHS07 — Drażniące / szkodliwe
GHS07 Drażniące / szkodliwe

🚨 Zwroty wskazujące rodzaj zagrożenia (H)

  • H315 — Działa drażniąco na skórę
  • H319 — Działa drażniąco na oczy
  • H335 — Może powodować podrażnienie dróg oddechowych

🛡 Zwroty określające środki ostrożności (P)

  • P261 — Unikać wdychania pyłu/dymu/gazu/mgły/par/rozpylonej cieczy
  • P210 — Przechowywać z dala od źródeł ciepła, gorących powierzchni, źródeł iskrzenia, otwartego ognia i innych źródeł zapłonu. Nie palić

✓ Klasyfikacja zharmonizowana zgodnie z załącznikiem VI do rozporządzenia CLP (WE) 1272/2008 (klasyfikacja urzędowa, wiążąca).

Tłumaczenia: Rozporządzenie CLP (WE) 1272/2008, Załącznik III i IV. Dane: PubChem/NLM.

📚 Skonsolidowane referencje naukowe — Chicago Author-Date 10 źródeł

Referencje zebrane ze wszystkich zakładek Safety Hub. CAS: 67-68-5 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Regulacje
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2023)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Zakładki z własnymi referencjami (Emergency, PPE, Storage, Waste) zawierają dodatkowe pozycje bibliograficzne wewnątrz swoich sekcji.

📈 Statystyka analityczna (t-test · RSD · Grubbs · Q-Dixon) ICH Q2
MolGod_STATS_1

Wklej serię powtórzeń pomiarów (CSV lub po jednej liczbie w linii). Kalkulator policzy średnią, odchylenie, 95% CI, wykryje outliery (Grubbs + Dixon Q).

Separator: przecinek, spacja, tab, nowa linia. Min 3 pomiary.
📐 Formuły statystyczne
  • x̄ = Σxᵢ / n — średnia arytmetyczna
  • s² = Σ(xᵢ - x̄)² / (n-1) — wariancja próby
  • s = √s² — odchylenie standardowe
  • RSD% = (s / x̄) × 100% — względne odchylenie
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — test Grubbsa
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Źródło: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Kalkulator receptur buforów UNIKALNE
MolGod_BUFFER_1

Wybierz bufor z listy 20 popularnych systemów → wprowadź docelowe pH → otrzymasz dokładny przepis z masami do odważenia.

Krok 1: Wybierz system buforowy

📜 Historia przepisów (ostatnie 10)
🚚 Klasyfikacja transportowa (ADR / IATA / IMDG)
MolGod_ADR_1
✅ Nie podlega regulacjom transportowym

Substancja klasyfikowana jako nie-niebezpieczna dla transportu drogowego (ADR), lotniczego (IATA) i morskiego (IMDG).

🛣️ ADR Transport drogowy

Klasa:
Not regulated

✈️ IATA Transport lotniczy

Klasa:
Not regulated

🚢 IMDG Transport morski

Klasa:
Not regulated
📅 Project Planner — Lab experiment manager NOWOŚĆ
MolGod_PLANNER_1

Zaplanuj cały projekt laboratoryjny: dodaj eksperymenty z reagentami, powtórzeniami i czasem trwania. Otrzymasz wykres Gantta, listę zakupów (linki do sklepu!), budżet z 10% marginesem i macierz ryzyka GHS.

🔬 Metody HPLC/GC (3 metoda)
📄
An Integrated Strategy for Rapid Discovery and Identification of Quality Markers in Gardenia Fructus Using an Omics Discrimination-Grey Correlation-Biological Verification Method
HPLCFrontiers in Pharmacology202190% ✓CC-BYResearch method (specificity, robustness)
Kolumna: C18, 5 \u03bcm
Faza: mobile phase was composed of formic acid–water (0
Detekcja: MS
Przepływ: 1.00 mL/min
Temp.: 60.0 °C
Inj.: 25 \u03bcL
Gradient: of the drug group was set as shown in the…
Dong R, Tian Q, Shi Y, Chen S, Zhang Y, Deng Z, et al. An Integrated Strategy for Rapid Discovery and Identification of Quality Markers in Gardenia Fructus Using an Omics Discrimination-Grey Correlation-Biological Verification Method. Frontiers in Pharmacology. 2021;12:705498. doi:10.3389/fphar.2021.705498
Background: Gardenia Fructus (GF), a traditional Chinese medicine of Gardenia Ellis in Rubiaceae family, has the potential to clear heat and purge fire and has been widely used to treat multiple infection-related diseases. However, the quality markers (Q-Markers) of GF have not been revealed comprehensively. Methods: In this experiment, the transgenic zebrafish lines, Tg (l-fabp:EGFP) and Tg (lyz:EGFP), were used to evaluate two main kinds of traditional efficacies of GF, hepatoprotective and anti-inflammatory effects. All the GF samples from different production areas were tested their anti-liver injury and anti-inflammantory activities. High-performance liquid chromatography-quadrupole time-of-flight mass spectrometry method (HPLC-Q-TOF/MS) was employed for herbal metabonomic analysis of GF samples. Gray correlation analysis (GCA) was utilized to screen out the components closely associated with the activities. Finally, the zebrafish model was applied to verify the bioactivity of the crucial components to determine the Q-Markers of GF. Results: The zebrafish models were established by inducing with hydrogen peroxide or copper sulfate and applied to quickly evaluate the hepatoprotective effect and inflammation of GF samples. 27 potentially active components for liver protection and 21 potentially active components with anti-inflammatory properties were identified by herbal metabolomic analysis based on HPLC-Q-TOF/MS. The GCA result showed that five of the 27 components were highly correlated with liver protection, 15 of the 21 components were highly correlated with anti-inflammatory activity. Among them, geniposide and crocin-1 were confirmed their bioactivities on zebrafish experiment to be responsible for the protective effects of GF against liver injury, and genipin-1-β-D-gentiobioside, quinic acid, gardenoside, d-glucuronic acid, l-malic acid, mannitol, rutin, and chlorogenic acid were confirmed to be responsible for the anti-inflammatory effects. Finally, acco...
gardenia fructuszebrafishquality markersherbal metabolomicsgray correlation analysisanti-inflammatoryliver protection
📄
Comparison of Quantification Using UV-Vis, NMR, and HPLC Methods of Retinol-Like Bakuchiol Present in Cosmetic Products
HPLC-DADInternational Journal of Molecular Sciences202590% ✓CC-BYResearch method (specificity, robustness)
Kolumna: C18, 5 \u03bcm
Faza: mobile phase consists of 1% formic acid and acetonitrile, 35/65 (v/v)
Detekcja: UV 300 nm
Przepływ: 1.00 mL/min
Temp.: 35.0 °C
Inj.: 20 \u03bcL
Gradient: pump, a diode-array detector, an autosampler with a thermostat, and…
Grzelecka M, Siudem P, Tyburc N, Triyasmono L, Holzgrabe U, Paradowska K. Comparison of Quantification Using UV-Vis, NMR, and HPLC Methods of Retinol-Like Bakuchiol Present in Cosmetic Products. International Journal of Molecular Sciences. 2025;26:6638. doi:10.3390/ijms26146638
Retinoids are used in cosmetics as anti-aging ingredients, along with other substances. However, due to limitations in use (such as photodegradation), it seems necessary to look for retinoid alternatives to be applied in cosmetic products. Bakuchiol, a natural alternative of retinoids, isolated from Psolarea corylifolia, is one such compound. It has great cosmetic potential and its mechanism of action is not yet fully explored. From the point of view of the bioactive compound, it is also essential to develop a method for rapid quality control of cosmetic preparations containing bakuchiol. The aim of this study was to apply and compare methods for the quantification of bakuchiol in cosmetic products using UV-Vis, 1H qNMR, and HPLC. The results show the possibility of using the 1H NMR method in the routine quality control of cosmetics with bakuchiol because of its comparable results with HPLC analysis and significantly shorter analysis time.
cosmeticsbakuchiolH qNMRHPLCUV-Vis
📄
Identification of the Antidepressant Function of the Edible Mushroom Pleurotus eryngii
HPLCJournal of Fungi202193% ✓CC-BYResearch method (specificity, robustness)
Kolumna: C18, 10 x 250 mm, 5 \u03bcm
Faza: mobile phase was methanol:water (50:50)
Detekcja: UV 550 nm
Przepływ: 1.00 mL/min
Temp.: 60.0 °C
Inj.: 5 \u03bcL
Gradient: procedure as the analytical column
Park Y, Jang S, Lee H, Kang S, Seo H, Yeon S, et al. Identification of the Antidepressant Function of the Edible Mushroom Pleurotus eryngii. Journal of Fungi. 2021;7:190. doi:10.3390/jof7030190
Pleurotus eryngii produces various functional molecules that mediate physiological functions in humans. Recently, we observed that P. eryngii produces molecules that have antidepressant functions. An ethanol extract of the fruiting body of P. eryngii was obtained, and the extract was purified by XAD-16 resin using an open column system. The ethanol eluate was separated by HPLC, and the fraction with an antidepressant function was identified. Using LC-MS, the molecular structure of the HPLC fraction with antidepressant function was identified as that of tryptamine, a functional molecule that is a tryptophan derivative. The antidepressant effect was identified from the ethanol extract, XAD-16 column eluate, and HPLC fraction by a serotonin receptor binding assay and a cell-based binding assay. Furthermore, a forced swimming test (FST) showed that the mice treated with purified fractions of P. eryngii exhibited decreased immobility time compared with nontreated mice. From these results, we suggest that the extract of P. eryngii has an antidepressant function and that it may be employed as an antidepressant health supplement.
antidepressantstryptaminemushroomsfungi
📈 Walidacja metody (ICH Q2)

Brak danych walidacyjnych. Skontaktuj się z autorem metody.

Parametry wg: ICH Q2(R2) ↗

📋 Porównanie metod
Technika Kolumna Czas analizy Detekcja Faza ruchoma Źródło
HPLC C18 MS mobile phase was composed of formic acid–water (0 DOI ↗
HPLC-DAD C18 UV 300 nm mobile phase consists of 1% formic acid and… DOI ↗
HPLC C18 UV 550 nm mobile phase was methanol:water (50:50) DOI ↗
🔧 Troubleshooting HPLC/GC
Szerokie piki / tailing
Przyczyny: Zużyta kolumna, złe pH fazy, przeciążenie kolumny, dead volume
Rozwiązanie: Wymień kolumnę, sprawdź pH buforu (±0.2), zmniejsz objętość nastrzyku, sprawdź połączenia
Dryft linii bazowej
Przyczyny: Zanieczyszczona faza ruchoma, gradient, temperatura niestabilna
Rozwiązanie: Odgazuj fazę, filtruj 0.22 µm, stabilizuj temperaturę kolumny, przemyj system
Brak piku
Przyczyny: Zła długość fali, substancja nie eluuje, rozkład termiczny, zła faza
Rozwiązanie: Sprawdź λmax, wydłuż gradient, obniż temperaturę, zmień fazę ruchomą
Piki duchów (ghost peaks)
Przyczyny: Zanieczyszczenie systemu, carry-over, zanieczyszczone fiolki
Rozwiązanie: Wyczyść system (MeOH/H₂O), użyj nowych fiolek, wstrzyknij blank
Niski odzysk
Przyczyny: Adsorpcja na ściankach, niedostateczna ekstrakcja, rozkład
Rozwiązanie: Dodaj IS, silanizuj szkło, zoptymalizuj ekstrakcję, sprawdź stabilność

Źródła: Snyder, Kirkland & Dolan ↗, Waters ↗

🧪 Rozpuszczalność i kompatybilność z solwentami MolGod_SOLUB_1
Molekuła
Dimethyl Sulfoxide
Wzór
C2H6OS
logP
-1.35
Masa (g/mol)
78.14
Polarność
Hydrofilowa (polarna)

⚠️ Estymacja HSP (literatura / group contribution). Dane orientacyjne — nie zastępują badań eksperymentalnych.

Solwent Kompat. Ra Wizual GC-MS HPLC Zastosowania Referencje
Water (H₂O)− Słaba32.6
✗ NieA (aqueous) (RP)
buffercell-cultureanalyticalextraction (hydrofilne)
Ethanol (EtOH)~ Śr.13.0
✗ NieA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)− Słaba14.4
✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent do 205 nm
Acetone+ Dobra8.9
✗ NieB modifier (NP)
GC headspacecrystallizationdegreasingsynthesis
Acetonitrile (ACN)+ Dobra7.6
✗ NieB (RP) (RP)
HPLC eluent (gold standard)LC-MS (wolny cut-off UV 190 nm)peptide analysis
DMSO+ Dobra0.0
✗ NieN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF~ Śr.11.4
✗ NieB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallic
DCM (CH₂Cl₂)~ Śr.10.9
✓ TakB (NP) (NP)
extractionNP-HPLCGC-MScrystallization (anti-solvent)
Chloroform (CHCl₃)− Słaba14.1
✓ TakN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane− Słaba20.5
✓ TakA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene− Słaba17.1
✓ TakB (NP) (NP)
NMR (d8-toluene)synthesisDean-Stark azeotropic drying
📚 Naukowe referencje dla solwentów (Chicago Author-Date) — kliknij aby rozwinąć

11 solwentów × 5 niezależnych źródeł naukowych (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS). 55+ pełnych cytowań poniżej.

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Teoria rozpuszczalności (zastosowane w przewidywaniu kompatybilności):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + wzór Ra.
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Kompletny tabularny zestaw 250+ rozpuszczalników (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 67-68-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Kompletna bibliografia w akordeonie REFERENCJE (na dole strony) — Chicago Manual of Style 17th ed., Author-Date.

📚 FAQ techniczne — Dimethyl Sulfoxide (5) MolGod_TECHFAQ_1
❓ Jak przygotować roztwór standardowy DMSO o stężeniu 1 mg/mL?
MolGod_TECHFAQ_1_Q0
Aby przygotować roztwór standardowy DMSO (CAS 67-68-5) o stężeniu 1 mg/mL, należy odważyć 1 mg substancji. Masa molowa DMSO wynosi 78.14 g/mol, więc 1 mg to 1/78.14 mmol ≈ 0.0128 mmol. Aby uzyskać stężenie 1 mg/mL (czyli 1 ppm), należy rozpuścić tę ilość w 1 mL rozpuszczalnika, np. metanolu lub wody dejonizowanej.
Pomocne?
❓ Jak przechowywać DMSO, aby zachować jego stabilność?
MolGod_TECHFAQ_1_Q1
DMSO należy przechowywać w szczelnie zamkniętych pojemnikach z ciemnego szkła lub tworzywa sztuczego odpornego na rozpuszczalniki, w temperaturze 2-8°C. Unikać ekspozycji na światło (przechowywać w ciemnym miejscu) i wilgoć (stosować osuszacze). Okres przydatności do użycia wynosi zwykle 1-2 lata od daty produkcji.
Pomocne?
❓ Jaka metoda analityczna jest zalecana do oznaczania stężenia DMSO w próbkach?
MolGod_TECHFAQ_1_Q2
Dla DMSO (MW = 78.14 g/mol, logP ≈ -2.9) zalecaną metodą jest HPLC z detektorem UV (λ = 280 nm) lub spektrometrią mas (MS). GC nie jest odpowiednia ze względu na polarność i niską lotność DMSO. Kolumny odporne na silne rozpuszczalniki, np. C18, z elucją gradientową metanol/woda.
Pomocne?
❓ Jakie są główne niezgodności chemiczne DMSO i jak ich unikać?
MolGod_TECHFAQ_1_Q3
DMSO jest silnym rozpuszczalnikiem polarnym, reaguje z niektórymi tworzywami sztucznymi (np. polistyren) i może hydrolizować estry w obecności kwasów/zasad. Unikać kontaktu z materiałami wrażliwymi na rozpuszczalniki polarne; stosować szkło lub PTFE. Przechowywać oddzielnie od silnych utleniaczy (np. KMnO4).
Pomocne?
❓ W jakich zastosowaniach laboratoryjnych wykorzystuje się DMSO i w jakich warunkach?
MolGod_TECHFAQ_1_Q4
DMSO stosuje się jako rozpuszczalnik w syntezie organicznej (np. reakcje SN2), nośnik leków (ze względu na zdolność przenikania przez błony komórkowe) oraz środek konserwujący. Typowe stężenia: 10-50%. Reakcje prowadzić w temperaturze pokojowej lub podgrzewając, ale unikać wrzenia (ryzyko rozkładu).
Pomocne?
🧮 Kalkulatory laboratoryjne (8) MolGod_LABCALC_1
Rozcieńczenie (C₁V₁=C₂V₂)
Molarność (M=n/V)
pH Bufor (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Masa → Mole
Stężenie % → M
ppm → mg/L
Temperatura C↔F↔K

Formuły zweryfikowane: IUPAC Gold Book ↗, DOI ↗

📊 Bazy widm spektroskopowych MolGod_SPECDB_3
📋 Generator protokołu laboratoryjnego MolGod_PROTOCOL_1

Protokół wygenerowany na podstawie: GHS SDS, Aldrich Lab Guide ↗

🏷️ Generator etykiety (QR) MolGod_LABEL_1
Dmso Test• dimethyl sulfoxide• CAS: 67-68-5• Formula: C2H6OS• Mass: 78.14 g/molUWAGAZWROTY RYZYKA GHS:H315: Działa drażniąco na skóręH319: Działa drażniąco na oczyH335: Może powodować podrażnienie dróg oddechowychP261: Unikać wdychania pyłu/dymu/gazu/mgły/par/rozpylonej cieczySOLUTIONSul. Juliana Przybosia 8, 21-400 Łuków+48 794 171 794[email protected]www.marmakchemicals.euWYŁĄCZNIE DO CELÓW LABORATORYJNYCH!Batch No.: Netto Mass: MFG: Init: • IUPAC: methylsulfinylmethane
ADMET — profil farmakologiczny
MolGod_ADMET_1

Wykres radarowy drug-likeness (Lipinski Ro5 / Veber). Strefa zielona = zgodność z kryteriami.

Dane predykcyjne — właściwości obliczone in silico (SMILES/RDKit). Nie zastępują badań klinicznych. Nie używaj do oceny leków bez weryfikacji eksperymentalnej.

MW78.1LogP-0.6HBD0HBA2RotB0TPSA36.3 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=78, LogP=-0.6)✗ REOS (MW=78)✓ Lead-like Ro3
WłaściwośćWartośćOcena
Wchłanianie (GI)wysokie
Przepuszczalność BBBtak (przenika)
Biodostępność (Daina 2017)
55%
Profil CYP450CYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
Alerty PAINS0
Alerty Brenka0
pKa (pH 7.4)7 (heuristic)
hERG (kardiotoks.)✓ nie
P-gp substrat
Ames mutagenność✓ nie
DILI (wątrobok.)
LogS (rozp. wod.)
Źródła (metodologia ADMET)
  1. Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
  2. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  3. Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
  4. Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
  5. Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
  6. Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
  7. Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
  8. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
  11. Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
  12. Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
  13. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  14. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  15. Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
  16. Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
  17. Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
  18. Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
  19. Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
  20. Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
  21. Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
  22. Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
  23. Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
  24. Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
  25. Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
  26. Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
  27. Stanley W. Jacob, Jack C. de la Torre. 2015. "Dimethyl Sulfoxide (DMSO) in Trauma and Disease." Taylor & Francis Group.
  28. Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
  29. Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
  30. Amandha Dawn Vollmer. 2020. "Healing with DMSO." Ulysses Press.
  31. Barry Tarshis. 1981. "DMSO, the true story of a remarkable pain-killing drug." Morrow.
  32. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  33. ECHA. 2024. "REACH Guidance." European Chemicals Agency.
  34. Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179.
  35. Amelia Hartwell. 2026. "DMSO Healing Made Easy." SDP Publications LLC.
  36. Pat McGrady. 1973. "The Persecuted drug." Grosset & Dunlap.
🧪 Asystent przygotowania roztworu (Smart Prep) MolGod_PREP_2

Wpisz co chcesz przygotować — wygeneruję SOP

Przykłady poniżej — kliknij żeby wstawić:
Gotowe przepisy:
📚 Przegląd literatury naukowej — CAS 67-68-5MolGod_LITHUB_MAIN
MolGod_RHIGHL_LT1
⭐ Najważniejsze odkrycia (literatura naukowa) 5 publikacji
🏆 CAS 67-68-5 — multi-criteria ranking (W12): 30% cytowania · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Mancuso, A.J.; Huang, S.L.; Swern, D. (1978) · Journal of Organic Chemistry
    Dlaczego ważne: Must-cite (kanon) · wysoki impact (1980 cytowań)
    SCORE 12.94 Mechanizm MUST-CITE Cytowań: 1980 DOI ↗
  2. #2
    Santos, N.C.; Figueira-Coelho, J.; Martins-Silva, J.; Saldanha, C. (2015) · Biochemical Pharmacology
    Dlaczego ważne: Must-cite (kanon) · 840 cytowań · przegląd
    SCORE 12.07 Przegląd MUST-CITE Cytowań: 840 DOI ↗
  3. #3
    Albright, J.D.; Goldman, L. (1976) · Journal of the American Chemical Society
    Dlaczego ważne: Must-cite (kanon) · 540 cytowań
    SCORE 11.25 Mechanizm MUST-CITE Cytowań: 540 DOI ↗
  4. #4
    Jacob, S.W.; Wood, D.C. (1975) · American Journal of Surgery
    Dlaczego ważne: Must-cite (kanon) · 280 cytowań
    SCORE 9.6 Farmakologia MUST-CITE Cytowań: 280 DOI ↗
  5. #5
    Dimethyl sulfoxide: history, chemistry, and clinical utility in dermatology
    Capriotti, K.; Capriotti, J.A. (2007) · Journal of Clinical and Aesthetic Dermatology
    Dlaczego ważne: Must-cite (kanon) · 190 cytowań
    SCORE 7.64 Farmakologia MUST-CITE Cytowań: 190

Description





DMSO Test (CAS 67-68-5)

Charakterystyka

Nazwa chemiczna: dimetylosulfotlenek (DMSO)
Wzór chemiczny: CH3SO2

Właściwości fizykochemiczne

  • Barwa: bezbarwna, przezroczysta ciecz
  • Gęstość: 1,21 g/mL (w temp. 18-24°C)
  • Temperatura topnienia: -69,35°C
  • Temperatura wrzenia: -70,3°C (przy obniżonym ciśnieniu)
  • Rozpuszczalność w wodzie: bardzo dobrze rozpuszcza się w wodzie (ok. 12 g/100 mL wody w temp. 20°C), praktycznie nierozpuszczalny w alkoholu etylowym, metanolu i acetonie.
  • Współczynnik załamania światła: 1,89 (naprężeniowy)
  • Gęstość względna (refraktometria): 1,21 (w temp. 18-24°C)

Zastosowanie

Typowe zastosowania w przemyśle/laboratorium: DMSO test (CAS 67-68-5) znajduje zastosowanie m.in. w laboratoriach badawczych, chemii organicznej i bioorganicznej do syntezy organicznej, w medycynie alternatywnej (np. jako środek przeciwzapalny), a także w rolnictwie i leśnictwie jako biocydent czy rozpuszczalnik. Przykładowe zastosowania to:

  • Laboratoria chemiczne: Jako rozpuszczalnik w syntezie organicznej (np. do rozpuszczania substancji lipofilowych), a także jako modulator receptorów GABA-ergicznych w badaniach farmakologicznych.
  • Medycyna alternatywna: Stosowany zewnętrznie (np. w postaci maści) jako środek przeciwzapalny, przeciwbólowy i antyseptyczny, a także wewnętrznie (np. dożylnie

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📈 Gradient HPLC — optymalizator (LSS) SZABLON

Gradient oparty na PubChem XLogP3 + LSS (Snyder et al. 2010, ch. 9).

  • Kolumna: C18
  • Bufor: phosphate
  • Przepływ: 1 mL/min
  • logP: -0.6 (PubChem XLogP3)
  • Rampa: 5% → 95% B, 10 min
  • Całkowity czas analizy: 23 min
t (min) %A %B flow (mL/min) Komentarz
0 95 5 1 start (równowaga)
2 95 5 1 koniec hold init
12 5 95 1 koniec rampy LSS
17 5 95 1 mycie kolumny
18 95 5 1 powrót do init
23 95 5 1 reekwilibracja
📚 Naukowe referencje (Chicago Author-Date)
  1. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
  4. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
  7. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  8. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  14. Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531. [DOI ↗]

REST: /wp-json/molgod/v1/hplc/gradient/67-68-5

📐 Kalkulator symetrii piku HPLC (USP Tf / As) FEATURE J

Oblicz współczynnik ogonowości USP (T) oraz asymetrię (As) z połówkowych szerokości piku. Wprowadź a (lewa półszerokość) i b (prawa półszerokość) zmierzone na 5% lub 10% wysokości piku.

📚 References (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. [link ↗] — Defines USP Tailing Factor T = (a+b)/(2a) measured at 5% peak height.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Tailing factor is a system suitability parameter (Section 6).
  3. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Original asymmetry factor As = b/a at 10% height (Foley & Dorsey 1983).
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2.4 — peak shape diagnostics and remedies.
  5. Dolan, John W.. 2003. "Peak tailing and resolution." LCGC North America 21: 610-614 [link ↗] — How tailing factor degrades effective resolution.
  6. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗] — Modern numerical deconvolution for asymmetric peaks.
  7. Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH. — Practical Tf and As thresholds for routine QC.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." Wiley. https://doi.org/10.1002/9781119313793 [link ↗]
  9. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." Wiley.
  10. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." Journal of Chromatography B 877: 2120-2129 https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗]
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 https://doi.org/10.1002/jssc.200700026 [link ↗]
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗]
📊 Kalkulator rozdzielczości i liczby półek (Rs, N, H) FEATURE K

Oblicz rozdzielczość Rs, liczbę półek teoretycznych N oraz HETP (H) dla pary pików HPLC. Wprowadź czasy retencji, szerokości pików (na 50% lub na podstawie) i długość kolumny.

📚 References (Chicago Author-Date)
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2 covers resolution, plate count and HETP fundamentals (Snyder et al. 2010).
  2. USP General Chapter <621>. 2024. "Chromatography." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines Rs >= 1.5 acceptance criterion and N calculation methods.
  3. Dolan, John W.. 2003. "How much resolution is enough?." LCGC North America 21: 350-353 [link ↗] — Practical guidance on Rs targets for routine method development.
  4. Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289 https://doi.org/10.1016/0009-2509(56)80003-1 [link ↗] — Origin of N = 5.54·(tr/w0.5)² half-height plate count formulation.
  5. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker. ISBN 978-0-8247-1357-7. — Resolution equation Rs = (1/4)·√N·(α-1)/α·k/(1+k) (master equation).
  6. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Skewed-peak corrections to apparent N.
  7. Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364 https://doi.org/10.1093/chromsci/15.9.352 [link ↗]
  8. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗]
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 https://doi.org/10.1002/jssc.200700026 [link ↗]
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗]
🧪 System Suitability — kalkulator live (USP <621>) FEATURE L

Wprowadź dane z 5-6 wstrzyknięć (areas, tr, tailing, plates) — kalkulator policzy %RSD, średnie i sprawdzi zgodność z USP <621>. Możesz wkleić CSV (po przecinku) lub edytować pojedyncze wartości.

📚 References (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines RSD area < 2%, tailing < 2.0, N > 2000 acceptance criteria.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Section 5.4 — system suitability is part of method validation.
  3. US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. [link ↗] — CDER reviewer perspective on chromatographic validation expectations.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. — Chapter 2 — system suitability fundamentals (RSD, Tf, N).
  5. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." — Robustness vs. system suitability — design-of-experiments framework.
  6. Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation."
  7. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. [link ↗] — EMA companion guideline with bioanalytical SS criteria.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. — UHPLC-specific suitability adjustments (n=5 vs. n=6).
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience.
  10. AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. [link ↗] — Alternative SS thresholds for food/dietary samples.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial."
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC."
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations."
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography."
🌍 Występowanie na świecie (3)MolGod_ABUND_1

Kluczowe regiony występowania naturalnego oraz miejsca produkcji przemysłowej dla CAS 67-68-5.

Bibliografia (Chicago)
  • U.S. Geological Survey. 2024. "Mineral Commodity Summaries 2024." https://pubs.usgs.gov/periodicals/mcs2024/.
  • British Geological Survey. 2023. "World Mineral Production 2018-2022." Keyworth: BGS.
  • International Energy Agency. 2023. "Critical Minerals Market Review 2023." https://www.iea.org/reports/critical-minerals-market-review-2023.
  • USGS. 2024. "Mineral Resources Online Spatial Data." U.S. Geological Survey. https://mrdata.usgs.gov/.
  • BGS. 2024. "World Mineral Statistics." British Geological Survey. https://www.bgs.ac.uk/mineralsuk/.
  • Emsley, John. 2001. "Nature's Building Blocks: An A-Z Guide to the Elements." Oxford University Press.
  • Wood, Eric J. 2013. "The Periodic Table and the Chemical Industry." Chemistry Education Research and Practice 14 (1): 5-16.
  • Tufte, Edward R. 2006. "Beautiful Evidence." Graphics Press.
  • Few, Stephen. 2009. "Now You See It: Simple Visualization Techniques for Quantitative Analysis." Analytics Press.
  • Mayer, Richard E. 2009. "Multimedia Learning." 2nd ed. Cambridge University Press.
☣️ Toksyczność (LD50 / LC50) Nie sklasyfikowanoMolGod_LD50_1
LD50
14500 mg/kg
Gatunek / droga
Rat / doustnie
Klasyfikacja
Practically nontoxic
Skala GHS (Acute Toxicity, oral, mg/kg bw):
Cat 1 (≤5)
Cat 2 (5–50)
Cat 3 (50–300)
Cat 4 (300–2000)
Cat 5 (2000–5000)

Źródło: Bartsch et al. 1976, Arch. Toxicol.; Gaylord Chemical SDS (1976). CAS 67-68-5.

Dane LD50/LC50 są wyłącznie poglądowe; nie zastępują karty charakterystyki (SDS) ani oceny eksperta toksykologicznego. Klasyfikacja GHS dla drogi doustnej (mg/kg bw) wg UN GHS, 10. rev. 2023, Annex 1 §3.1.1.

Bibliografia (Chicago)
  • Hodge, Harold C., and James H. Sterner. 1949. "Tabulation of toxicity classes." American Industrial Hygiene Association Quarterly 10 (4): 93-96.
  • U.S. EPA. 2024. "ChemView." https://chemview.epa.gov/.
  • United Nations. 2023. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS)." 10th rev. ed. New York: UN.
  • Lipnick, Robert L., et al. 1995. "Comparison of the up-and-down, conventional LD50, and fixed-dose acute toxicity procedures." Food and Chemical Toxicology 33 (3): 223-231.
  • ATSDR. 2024. "Toxicological Profiles." Agency for Toxic Substances and Disease Registry. https://www.atsdr.cdc.gov/.
  • Hayes, Wallace, and Claire L. Kruger, eds. 2014. "Hayes' Principles and Methods of Toxicology." 6th ed. CRC Press.
  • Lewis, Richard J. 2012. "Sax's Dangerous Properties of Industrial Materials." 12th ed. Wiley.
  • IARC. 2024. "Monographs on the Evaluation of Carcinogenic Risks to Humans." International Agency for Research on Cancer (per kryteria klasyfikacji rakotwórczości IARC Group 1/2A/2B).
  • Pohanish, Richard P. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." 7th ed. Elsevier.
  • Bingham, Eula, Barbara Cohrssen, and Charles H. Powell, eds. 2012. "Patty's Toxicology." 6th ed. Wiley.
  • WHO. 2023. "Recommended Classification of Pesticides by Hazard." World Health Organization (zgodne z UN GHS Annex 1 §3.1.1).
⚠️ Interakcje lekowe (1)MolGod_DRUGINT_1

Znane interakcje farmakokinetyczne i farmakodynamiczne dla CAS 67-68-5 wg konsensusowych źródeł klinicznych. Niniejsze informacje są edukacyjne — nie zastępują konsultacji lekarskiej.

Skala evidence (Hansten & Horn)
A — randomized controlled trials · B — non-randomized clinical / PK studies · C — case reports · D — theoretical/mechanism-based
  • Heparyna
    Umiarkowane
    CAS partnera: 9005-49-6 · DrugBank DB01109

    Mechanizm: DMSO zwiększa przepuszczalność błon biologicznych i może nasilać układową absorpcję heparyny stosowanej miejscowo. Dodatkowo DMSO wykazuje słabe działanie antyagregacyjne (hamowanie OH• i fibryny).

    Skutek kliniczny: Możliwe nasilenie efektu antykoagulacyjnego i ryzyka krwawienia, zwłaszcza przy aplikacji przezskórnej DMSO + heparyna.

    Postępowanie: Unikać łączenia w aplikacjach skórnych. Monitorować APTT/anty-Xa przy heparynie systemowej i ekspozycji zawodowej na DMSO.

    Źródło: Stockley 2021
Bibliografia (Chicago)
  • Hansten, Philip D., and John R. Horn. 2024. "The Top 100 Drug Interactions: A Guide to Patient Management." H&H Publications.
  • Stockley, Ivan H., ed. 2021. "Stockley's Drug Interactions." 12th ed. Pharmaceutical Press.
  • Indiana University. 2024. "P450 Drug Interaction Table." https://drug-interactions.medicine.iu.edu/.
  • Lexicomp. 2024. "Lexicomp Drug Interactions Database." Wolters Kluwer.
  • U.S. FDA. 2023. "Drug Development and Drug Interactions Table of Substrates, Inhibitors and Inducers." https://www.fda.gov/drugs/drug-interactions-labeling/drug-development-and-drug-interactions-table-substrates-inhibitors-and-inducers.
  • Goldfrank, Lewis R., et al. 2019. "Goldfrank's Toxicologic Emergencies." 11th ed. McGraw-Hill (rozdz. Drug Interactions — synergie + antagonizmy w zatruciach mieszanych).
  • Olson, Kent R., et al. 2018. "Poisoning & Drug Overdose." 7th ed. McGraw-Hill (kliniczne management interakcji w przedawkowaniu).
  • Dollery, Colin, ed. 1999. "Therapeutic Drugs." 2nd ed. Churchill Livingstone (monografia źródłowa o interakcjach lek-lek na poziomie farmakokinetyki).
  • Rosenstock, Linda, et al. 2005. "Textbook of Clinical Occupational and Environmental Medicine." 2nd ed. Elsevier Saunders (occupational + drug exposure interakcje).
  • Lippmann, Morton. 2009. "Environmental Toxicants: Human Exposures and Their Health Effects." 3rd ed. Wiley (modulacja CYP3A4/CYP2D6 przez ekspozycje środowiskowe).
  • Hayes, Wallace, and Claire L. Kruger, eds. 2014. "Hayes' Principles and Methods of Toxicology." 6th ed. CRC Press (in vitro screening DDI: rola P-gp, BCRP).
💎 Formy krystaliczne / Polimorfy 1 forma w bazie MolGod_POLYMORPH_2
Forma Grupa przestrzenna Komórka (Å, °) Gęstość (g/cm³) T.t. (°C) CCDC
orthorhombic stabilna P212121 a=5.23 b=6.98 c=10.4 · α=90 β=90 γ=90 · Z=4 1.101 19.0 DMSULF01 DOI

Źródło: Cambridge Structural Database (CSD) + literatura pierwotna. Polimorfizm wpływa na rozpuszczalność, biodostępność i stabilność (Brittain 2009; Bernstein 2020).

📚 Referencje naukowe (Chicago Author-Date)
  1. Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
  2. Macrae, Clare F., Ioana Sovago, Simon J. Cottrell, et al. 2020. "Mercury 4.0: from visualization to analysis, design and prediction." Journal of Applied Crystallography 53 (1): 226-235. https://doi.org/10.1107/S1600576719014092.
  3. International Conference on Harmonisation. 2017. "ICH Q6A: Specifications: Test Procedures and Acceptance Criteria for New Drug Substances and New Drug Products." Geneva: ICH. https://www.ich.org/page/quality-guidelines.
  4. Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 72 (2): 171-179.
  5. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  6. Price, Sarah L. 2014. "Predicting crystal structures of organic compounds." Chemical Society Reviews 43 (7): 2098-2111. https://doi.org/10.1039/C3CS60279F.
  7. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  8. Yu, Lian. 2010. "Polymorphism in molecular solids: an extraordinary system of red, orange, and yellow crystals." Accounts of Chemical Research 43 (9): 1257-1266. https://doi.org/10.1021/ar100040r.
  9. Spek, Anthony L. 2009. "Structure validation in chemical crystallography." Acta Crystallographica D 65 (2): 148-155. https://doi.org/10.1107/S090744490804362X.
  10. Sheldrick, George M. 2008. "A short history of SHELX." Acta Crystallographica A 64 (1): 112-122. https://doi.org/10.1107/S0108767307043930.
  11. Florence, Alastair J. 2008. "Approaches to high-throughput physical form screening and discovery." In Polymorphism: in the Pharmaceutical Industry, edited by Rolf Hilfiker, 139-184. Weinheim: Wiley-VCH.
  12. Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
  13. Bond, Andrew D., Roland Boese, and Gautam R. Desiraju. 2007. "On the polymorphism of aspirin: crystalline aspirin as intergrowths of two polymorphic domains." Angewandte Chemie International Edition 46 (4): 618-622. https://doi.org/10.1002/anie.200603373.
  14. Hilfiker, Rolf, ed. 2006. Polymorphism in the Pharmaceutical Industry. Weinheim: Wiley-VCH.
  15. Singhal, Dharmendra, and William Curatolo. 2004. "Drug Polymorphism and Dosage Form Design: A Practical Perspective." Advanced Drug Delivery Reviews 56 (3): 335-347.
  16. Datta, Sapan, and David J. W. Grant. 2004. "Crystal structures of drugs: advances in determination, prediction and engineering." Nature Reviews Drug Discovery 3 (1): 42-57. https://doi.org/10.1038/nrd1280.
  17. Allen, Frank H. 2002. "The Cambridge Structural Database: a quarter of a million crystal structures and rising." Acta Crystallographica B 58 (3): 380-388. https://doi.org/10.1107/S0108768102003890.
  18. Bauer, Jeffery, Stephen Spanton, Rodger Henry, et al. 2001. "Ritonavir: an extraordinary example of conformational polymorphism." Pharmaceutical Research 18 (6): 859-866. https://doi.org/10.1023/A:1011052932607.
  19. Vippagunta, Sudha R., Harry G. Brittain, and David J. W. Grant. 2001. "Crystalline solids." Advanced Drug Delivery Reviews 48 (1): 3-26. https://doi.org/10.1016/S0169-409X(01)00097-7.
  20. Mullin, John W. 2001. Crystallization. 4th ed. Oxford: Butterworth-Heinemann.
  21. Chemburkar, Sanjay R., Jeffery Bauer, Klaus Deming, et al. 2000. "Dealing with the impact of ritonavir polymorphs on the late stages of bulk drug process development." Organic Process Research & Development 4 (5): 413-417. https://doi.org/10.1021/op000023y.
  22. Davey, Roger J., and John Garside. 2000. From Molecules to Crystallizers: An Introduction to Crystallization. Oxford Chemistry Primer 86. Oxford: Oxford University Press.
  23. U.S. Food and Drug Administration. 2000. "Guidance for Industry — Q6A Specifications: Test Procedures and Acceptance Criteria for New Drug Substances and New Drug Products: Chemical Substances." Silver Spring, MD: FDA. https://www.fda.gov/media/71361/download.
  24. Bernstein, Joel, and Anthony L. Henck. 1998. "Disappearing and Reappearing Polymorphs — An Anathema to Crystal Engineering?" Crystal Engineering 1 (2): 119-125.
  25. Threlfall, Terence L. 1995. "Analysis of organic polymorphs: a review." The Analyst 120 (10): 2435-2460. https://doi.org/10.1039/AN9952002435.
  26. Desiraju, Gautam R. 1995. "Supramolecular synthons in crystal engineering — a new organic synthesis." Angewandte Chemie International Edition 34 (21): 2311-2327. https://doi.org/10.1002/anie.199523111.
  27. Bürgi, Hans-Beat, and Jack D. Dunitz, eds. 1994. Structure Correlation. 2 vols. Weinheim: VCH.
  28. Gavezzotti, Angelo. 1994. "Are crystal structures predictable?" Accounts of Chemical Research 27 (10): 309-314. https://doi.org/10.1021/ar00046a004.
  29. Etter, Margaret C. 1990. "Encoding and decoding hydrogen-bond patterns of organic compounds." Accounts of Chemical Research 23 (4): 120-126. https://doi.org/10.1021/ar00172a005.
  30. Burger, Artur, and Rudolf Ramberger. 1979. "On the polymorphism of pharmaceuticals and other molecular crystals. I. Theory of thermodynamic rules." Mikrochimica Acta 72 (3-4): 259-271. https://doi.org/10.1007/BF01197379.
  31. Haleblian, John, and Walter McCrone. 1969. "Pharmaceutical applications of polymorphism." Journal of Pharmaceutical Sciences 58 (8): 911-929. https://doi.org/10.1002/jps.2600580802.
  32. McCrone, Walter C. 1965. "Polymorphism." In Physics and Chemistry of the Organic Solid State, edited by David Fox, Mortimer M. Labes, and Arnold Weissberger, vol. 2, 725-767. New York: Interscience.
  33. Ostwald, Wilhelm. 1897. "Studien über die Bildung und Umwandlung fester Körper." Zeitschrift für Physikalische Chemie 22: 289-330.
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📋 Licencja: Embed zachowuje link zwrotny do Marmak Chemicals (wymagane — sklep jest źródłem danych). Dane chemiczne pochodzą z PubChem (CC0 — domena publiczna). Embed jest BEZPŁATNY do zastosowań edukacyjnych, komercyjnych i hobby.
📚 REFERENCJE (Bibliografia zbiorcza, Chicago Author-Date) 105 items
MolGod_REFS_1

Wszystkie źródła naukowe cytowane w akordeonach powyżej dla CAS 67-68-5. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Bazy danych naukowych

  1. NIST. 2026. NIST Chemistry WebBook: CAS 67-68-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=67-68-5. (Accessed 2026-08-01.)
  2. AIST. 2026. Spectral Database for Organic Compounds (SDBS): CAS 67-68-5. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/. (Accessed 2026-08-01.)
  3. PubChem. 2026. PubChem Compound Summary: CAS 67-68-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=67-68-5. (Accessed 2026-08-01.)

📐 Standardy / Wytyczne

  1. ICH. 2026. "ICH Harmonised Guideline: CAS 67-68-5." Geneva: International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf. (Accessed 2026-08-01.)
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Książki

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  3. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 Monografie

  1. IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 67-68-5. Lyon, France: International Agency for Research on Cancer, World Health Organization. (Accessed 2026-08-01.)

📄 Artykuły naukowe (peer-reviewed)

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 Strony internetowe

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
  4. European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
  5. ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
  6. ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
  7. United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
  8. ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
  9. Yaws Handbook 2nd ed. (2014). 2026. "Yaws Handbook 2nd ed. (2014): CAS 67-68-5." (Accessed 2026-08-01.)
  10. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley.
  11. Schoenmakers, Peter J.. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier.
  12. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley.
  13. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. https://doi.org/10.1016/j.chroma.2008.10.005.
  14. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094.
  15. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793.
  16. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026.
  17. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199. https://www.chromatographyonline.com/view/when-modify-method-conditions.
  18. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. Wiley.
  19. Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
  20. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531. https://doi.org/10.1021/ac101742z.
  21. Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." https://doi.org/10.1016/0009-2509(56)80003-1.
  22. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker.
  23. Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." https://doi.org/10.1016/S0021-9673(97)00376-2.
  24. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." https://doi.org/10.1002/jssc.200700026.
  25. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." https://doi.org/10.1016/j.chroma.2008.11.094.
  26. Knox, John H.. 1977. "Practical aspects of LC theory." https://doi.org/10.1093/chromsci/15.9.352.
  27. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development." Wiley.
  28. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." https://doi.org/10.1021/ac101742z.
  29. Sadek, Paul C.. 2002. "The HPLC Solvent Guide." Wiley-Interscience.
  30. Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." https://doi.org/10.1093/chromsci/16.6.223.
  31. Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry." Wiley-VCH.
  32. Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." https://doi.org/10.1021/ie980212h.
  33. Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography." Wiley.
  34. Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." https://doi.org/10.1093/chromsci/47.8.645.
  35. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
  36. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." https://doi.org/10.1021/ac00255a033.
  37. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183.
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