Heptane — label CAS 142-82-5
Heptane — label CAS 142-82-5

Heptane (CAS 142-82-5)

CAS 号: 142-82. CAS 142-82-5. CAS 号: 142-82-5.

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REACH 2020/878
v8 · 02.11.2026

Section 9 — physicochemical properties: 13 of 22 established.

We show what is established and name what is not. Classification and identity are complete on every card; section 9 is where public data is thin.

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3D model Heptane, CAS 142-82-5, molecular formula C7H16, molar mass 100.20 g/mol

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📊 Physicochemical data — CAS 142-82-5
📊 Physicochemical properties

Quick Reference

Formula: C7H16
MW: 100.2 g/mol
CAS: 142-82-5
Appearance: Colorless liquid
Odour: Gasoline-like odor
🔬 Advanced Properties

Chemical Identifiers

SMILES: CCCCCCC

Last updated: 2026-09-02

Chemical Overview: Heptane
Molecular formulaC7H16[1]
Molecular weight100.2 g/mol[1]
Melting point-90.56 °C[1][2]
Boiling point98.39 °C[1][2]
Density0.68 g/cm³[1]
LogP (lipophilicity)4.4[1]
IUPAC nameheptane[1]
SMILESCCCCCCC[1]
InChIKeyIMNFDUFMRHMDMM-UHFFFAOYSA-N[1]

Synonyms: HEPTANE · n-Heptane · 142-82-5 · Heptan · Heptyl hydride

Data sources: PubChem (NLM/NIH)
Last updated: 2026-10-16

📚 Scientific references (Chicago Author-Date) (2 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: Molecular formula · Molecular weight · Melting point · Boiling point · Density · LogP (lipophilicity) · IUPAC name · SMILES · InChIKey
  2. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ applies to: Melting point · Boiling point

SCIENTIFIC RESEARCH

[1]Europe PMC2026
Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.
et al.. (2026). "Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.". https://doi.org/10.1021/acs.orglett.6c02332
Go to full study ↗
[2]Europe PMC2026
2,5-Diazabicyclo[2.2.1]heptane in medicinal chemistry: a treasure trove of therapeutic opportunities.
et al.. (2026). "2,5-Diazabicyclo[2.2.1]heptane in medicinal chemistry: a treasure trove of therapeutic opportunities.". https://doi.org/10.1039/d5md00992h
Go to full study ↗
[3]Europe PMC2026
Effect of oxygenated ferrocene derivatives on soot formation and nanoparticle emissions in n-heptane diffusion flames.
et al.. (2026). "Effect of oxygenated ferrocene derivatives on soot formation and nanoparticle emissions in n-heptane diffusion flames.". https://doi.org/10.1039/d5ra09720g
Go to full study ↗
[4]Europe PMC2026
Atmospheric Pressure Corona Discharge Ionization of n-Heptane (I): Formation of the Molecular Ion M+• and Dehydrogenated Ions [M…
et al.. (2026). "Atmospheric Pressure Corona Discharge Ionization of n-Heptane (I): Formation of the Molecular Ion M+• and Dehydrogenated Ions [M - 2H]+• and [M - nH]+ (n = 1, 3, 5).". https://doi.org
Go to full study ↗
[5]Europe PMC2025
Selective P450BM3 Hydroxylation of the Spiro[3.3]heptane Core as a Route to Potential Drug Fragment Molecules.
et al.. (2025). "Selective P450BM3 Hydroxylation of the Spiro[3.3]heptane Core as a Route to Potential Drug Fragment Molecules.". https://doi.org/10.1021/acs.orglett.5c01265
Go to full study ↗
[6]Europe PMC2025
Development of Indolo-Bicyclo[3.1.1]Heptane as a Carbazole Isostere Through Radical Indolization of Bicyclo[1.1.0]Butanes.
et al.. (2025). "Development of Indolo-Bicyclo[3.1.1]Heptane as a Carbazole Isostere Through Radical Indolization of Bicyclo[1.1.0]Butanes.". https://doi.org/10.1002/anie.202513774
Go to full study ↗
[7]PubMed2025
3-Oxabicyclo[3.1.1]heptane as an Isostere of meta-Benzene.
Dibchak D, Mykhailiuk PK. (2025). "3-Oxabicyclo[3.1.1]heptane as an Isostere of meta-Benzene.". Angewandte Chemie (International ed. in English). https://doi.org/10.1002/anie.202505519
Go to full study ↗
[8]Europe PMC2025
Understanding the Reactivity of N-Heptane Blended with Ethanol or Ethyl Acetate.
et al.. (2025). "Understanding the Reactivity of N-Heptane Blended with Ethanol or Ethyl Acetate.". https://doi.org/10.1021/acsomega.4c10828
Go to full study ↗
📚 Scientific references (Chicago Author-Date) 18 refs · 4 baz

MOLECULE Per-CAS bibliography (live from 13+ databases)

Sources: db:Europe PMC (14) · db:pubmed (1) · db:arxiv (2) · db:crossref (2)

  1. db:Europe PMC et al.. (2026). "Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.". https://doi.org/10.1021/acs.orglett.6c02332 →
  2. db:Europe PMC et al.. (2026). "2,5-Diazabicyclo[2.2.1]heptane in medicinal chemistry: a treasure trove of therapeutic opportunities.". https://doi.org/10.1039/d5md00992h →
  3. db:Europe PMC et al.. (2026). "Effect of oxygenated ferrocene derivatives on soot formation and nanoparticle emissions in n-heptane diffusion flames.". https://doi.org/10.1039/d5ra09720g →
  4. db:Europe PMC et al.. (2026). "Atmospheric Pressure Corona Discharge Ionization of n-Heptane (I): Formation of the Molecular Ion M+• and Dehydrogenated Ions [M - 2H]+• and [M - nH]+ (n = 1, 3, 5).". https://doi.org/10.5702/massspectrometry.a0193 →
  5. db:Europe PMC et al.. (2025). "Selective P450BM3 Hydroxylation of the Spiro[3.3]heptane Core as a Route to Potential Drug Fragment Molecules.". https://doi.org/10.1021/acs.orglett.5c01265 →
  6. db:Europe PMC et al.. (2025). "Development of Indolo-Bicyclo[3.1.1]Heptane as a Carbazole Isostere Through Radical Indolization of Bicyclo[1.1.0]Butanes.". https://doi.org/10.1002/anie.202513774 →
  7. db:pubmed Dibchak D, Mykhailiuk PK. (2025). "3-Oxabicyclo[3.1.1]heptane as an Isostere of meta-Benzene.". Angewandte Chemie (International ed. in English). https://doi.org/10.1002/anie.202505519 →
  8. db:Europe PMC et al.. (2025). "Understanding the Reactivity of N-Heptane Blended with Ethanol or Ethyl Acetate.". https://doi.org/10.1021/acsomega.4c10828 →
  9. db:Europe PMC (2025). "Computational Access to 1,3,5,6,7-Pentanitro-3,6,7-Triazabicyclo-[3.1.1]-Heptane (UIX): A Powerful Potential Explosive with Zero Oxygen Balance.". https://doi.org/10.1002/asia.202500290 →
  10. db:Europe PMC (2025). "Recent Advances in the Synthesis of Bicyclo[4.1.0]Heptane Scaffolds.". https://doi.org/10.1002/asia.202500824 →
  11. db:Europe PMC (2025). "Field Ionization Mass Spectrometric and Quantum Chemical Analysis of Alkyl Fragment Ions Produced by Field Dissociation of n-Heptane, 2-Methyl Hexane, and 2-Methyl Heptane.". https://doi.org/10.1021/jasms.5c00127 →
  12. db:Europe PMC et al.. (2025). "Novel oxabicyclo[2.2.1]heptane-3-one derivatives with NO inhibitory and cytotoxic activities, and xanthone derivatives from the endolichenic fungus Exophiala sp.". https://doi.org/10.1016/j.bioorg.2025.108843 →
  13. db:Europe PMC et al.. (2025). "Desymmetrization of meso-Anhydride Enabled Enantioselective Synthesis of (-)-7-(Bromomethylene)-3-amidobicyclo[2.2.1]heptane-2-carboxamide, a Scaffold for Divergent Drug Discovery Synthesis.". https://doi.org/10.1021/acs.joc.5c02021 →
  14. db:Europe PMC et al.. (2025). "Highly Efficient Synthesis of Spiro[1-azabicyclo[3.2.0]heptane] Frameworks via [3+2]-Cycloaddition.". https://doi.org/10.1021/acs.joc.4c03183 →
  15. db:arxiv Luis Felipe Sanz, Juan Antonio González, Fernando Hevia et al.. (2024). "Thermodynamics of mixtures containing amines. XVII. Excess molar enthalpy and volume measurements for benzylamine + heptane or + 1-alkanol mixtures at 298.15 K. Application of the DISQUAC and ERAS models". arXiv (2410.00799v1). https://doi.org/10.1016/j.fluid.2022.113460 →
  16. db:arxiv Liang Ji, Kalyanasundaram Seshadri, Forman A. Williams. (2024). "Experimental and Computational Investigation of the Influence of Ethanol on Auto-ignition of n-Heptane in Non-Premixed Flows". arXiv (2406.08507v1).
  17. db:crossref Abu Bakr S.H. Salem. (1993). "Liquid-liquid equilibria for the systems triethylene glycol - toluene - heptane, propylene carbonate - toluene - heptane and propylene carbonate -o-xylene- heptane". Fluid Phase Equilibria. https://doi.org/10.1016/0378-3812(93)87184-3 →
  18. db:crossref L. T. Carmichael, B. H. Sage. (1956). "Diffusion coefficients in hydrocarbon systems: n‐heptane in the gas phase of the ethane–n‐heptane and propane–n‐heptane systems". AIChE Journal. https://doi.org/10.1002/aic.690020227 →
Regulatory status of the substance
This substance is subject to regulatory requirements: hazardous waste management (BDO — national rule, Poland). Details in the "Regulatory Status (REACH/ECHA/CLP)" section and on the SDS. Regulatory information — does not restrict purchase in this store.
🧮 Stoichiometry Calculator
🧪 Chemical Data
CAS Number
142-82-5
Molecular formula
C7H16
Molar mass
100.20 g/mol
IUPAC name (EN)
heptane
SMILES
CCCCCCC
InChIKey
IMNFDUFMRHMDMM-UHFFFAOYSA-N
📚 Related literature (20 articles)

Matched automatically from public bibliographic databases by text similarity. Not curated for this substance, and not part of the safety data sheet.

Dibchak D, Mykhailiuk PK · (2025) · Angewandte Chemie (International ed. in English)
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📈 Publication timeline
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2026
📡 Data sources

The data in this widget comes from the following verified scientific sources:

  • PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
  • ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
  • NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical properties
Temp. wrzenia
98.4
Temp. topnienia
-90.6
Density
0.684

Source: PubChem, NIST WebBook. Last updated: 2026-09-02

🔍 External identifiers
12 of 16 ID systems75%
DatabaseIdentifierActions
CAS Registry Number142-82-5Open →
PubChem CID8900[1]Open →
InChIKeyIMNFDUFMRHMDMM-UHFFFAOYSA-N[1]Open →
InChIInChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3[1]
SMILESCCCCCCC[1]
EC Number205-563-8[2]Open →
ChEMBLCHEMBL134658[3]Open →
HMDBHMDB0031447Open →
ChemSpider8560[4]Open →
UNII (FDA)456148SDMJOpen →
NSC Number (NCI)62784Open →
WikiData QIDQ310957Open →

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

📚 Scientific references (Chicago Author-Date) (4 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ applies to: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ applies to: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ applies to: ChemSpider

Further reading

Publications thematically related to this CAS. They are not the source of any value shown on this card.

Extended Bibliography (1)

  1. ★★☆☆☆ Crossref 🔓 OPEN ❓ unverified Anonymous. "n-Heptane.". https://doi.org/10.31003/uspnf_x2r2579_01_01. link [accessed: 2026-09-04]
📡 Spectroscopy — CAS 142-82-5
📊 Spectra (NMR, IR, MS, UV-Vis) (1)

Available spectrum types: IR

IR spectrum (KBr, 4000-400 cm⁻¹)

440 data points · Source: NIST WebBook · NIST ↗ · 📥 JCAMP-DX
🎓 Spectrum interpretation guide (for students)
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) (7 sources)
  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. ↗
Structural properties
ParameterValueUnit
Molecular formulaC7H16
Molar mass100.20g/mol
Exact mass100.125200510Da
Monoisotopic mass100.125200510Da
Topological polar surface area (TPSA)0Ų
XLogP34.4000
Complexity index19.2
Hydrogen bond donors0
Hydrogen bond acceptors0
Rotatable bonds4
Heavy atoms7
Stereocentres (atoms)0
Stereocentres (bonds)0
3D volume98.4000ų
Number of 3D conformers10
Conformer model RMSD0.6000Å
Effective 3D rotors4
H-bond acceptors (3D)0
H-bond donors (3D)0
Rings (3D)0
Hydrophobic centres (3D)3
Steric quadrupole 3D (X/Y/Z)7.04 / 0.80 / 0.62Ų

Source: PubChem Computed Properties, CID 8900

❓ Frequently asked questions (8)
What is Heptane?
Heptane (CAS 142-82-5) is a chemical compound with the molecular formula C7H16 and a molecular weight of 100.20 g/mol. The chemical data comes from PubChem (National Institutes of Health, USA).
Helpful?
What is the CAS number of Heptane?
The CAS number for Heptane is 142-82-5. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Helpful?
What is the chemical formula of Heptane?
The molecular formula of Heptane is C7H16. Its molecular weight is 100.20 g/mol.
Helpful?
What is the melting point of Heptane?
The melting point of Heptane is -90.6.
Helpful?
What is the boiling point of Heptane?
The boiling point of Heptane is 98.4.
Helpful?
What is the density of Heptane?
The density of Heptane is 0.684.
Helpful?
Is Heptane hazardous?
Heptane has a harmonised EU classification (CLP Regulation, Annex VI, index no. 601-008-00-2): H225, H304, H336, H315, H400, H410. Read the safety data sheet before use and follow the handling precautions it states.
Helpful?
How should Heptane be stored?
Heptane should be stored as its safety data sheet directs — typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
Helpful?
➕ Suggest a question
Download structure files

Molecular structure files from the PubChem database (NIH). Compatible with Avogadro, PyMOL, Jmol, and ChemDraw.

Source: PubChem, National Library of Medicine (NIH). CID: 8900

🔄 Concentration unit converter LIVE

Enter the Heptane concentration in any unit — the rest will be calculated automatically.

MW: 100.20 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)
ConversionFormulaAccuracySource
% (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)
📚 Bibliography (8 authoritative sources)
  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.811e2008
    → 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
Similar molecular structures

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Calculations per: IUPAC Gold Book ↗, Merck ↗

Computational chemistry

Molecular descriptors

ParameterValueUnit
XLogP3 (lipophilicity)4.40
lipophilic (prefers organic phase)
Topological polar surface area (TPSA)0.00Ų
low polarity, good blood-brain barrier penetration
Complexity index19.2
Formal charge0
neutral molecule

Lipinski's Rule of Five

CriterionValueRuleStatus
Molar mass100.20 g/mol<= 500✓
XLogP34.40<= 5✓
Hydrogen bond donors0<= 5✓
Hydrogen bond acceptors0<= 10✓

The compound satisfies Lipinski's rule — potentially good oral bioavailability.

3D pharmacophore features

ParameterValueUnit
H-bond acceptors (3D)0
H-bond donors (3D)0
Rings (3D)0
Hydrophobic centres (3D)3
Anionic centres (3D)0
Cationic centres (3D)0

Shape and volume

ParameterValueUnit
3D volume98.40ų
Rotatable bonds4
Heavy atoms7

The TPSA interpretations and Lipinski's rule are empirical rules for small-molecule oral drugs (Lipinski 1997, Veber 2002, Kelder 1999). They are not an assessment of the absorption or toxicity of this substance — safety data are given in the Safety Data Sheet.

Source: PubChem Computed Properties, CID 8900

🛡️ Safety — CAS 142-82-5
Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Danger
GHS02 — Flammable
GHS02 Flammable
GHS07 — Irritant / harmful
GHS07 Irritant / harmful
GHS08 — Health hazard
GHS08 Health hazard
GHS09 — Environmental hazard
GHS09 Environmental hazard

🚨 Hazard statements (H)

  • H225 — Highly flammable liquid and vapour
  • H304 — May be fatal if swallowed and enters airways
  • H336 — May cause drowsiness or dizziness
  • H315 — Causes skin irritation
  • H400 — Very toxic to aquatic life
  • H410 — Very toxic to aquatic life with long lasting effects

🛡 Precautionary statements (P)

  • P210 — Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking
  • P233 — Keep container tightly closed
  • P240 — Ground and bond container and receiving equipment
  • P261 — Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 — Wash thoroughly after handling
  • P271 — Use only outdoors or in a well-ventilated area
  • P273 — Avoid release to the environment
  • P280 — Wear protective gloves/protective clothing/eye protection/face protection
  • P301+P310 — IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
  • P302+P352 — IF ON SKIN: Wash with plenty of water
  • P303+P361+P353 — IF ON SKIN (or hair): Take off immediately all contaminated clothing; Rinse skin with water or shower
  • P304+P340 — IF INHALED: Remove person to fresh air and keep comfortable for breathing
  • P312 — Call a POISON CENTER or doctor/physician if you feel unwell
  • P331 — Do NOT induce vomiting
  • P332+P313 — If skin irritation occurs: Get medical advice/attention
  • P370+P378 — In case of fire: Use appropriate media to extinguish
  • P391 — Collect spillage
  • P403+P235 — Store in a well-ventilated place: Keep cool
  • P403+P233 — Store in a well-ventilated place: Keep container tightly closed
  • P405 — Store locked up
  • P501 — Dispose of contents/container to an approved waste collection point

✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 601-008-00-2.

Reference (Chicago): European Chemicals Agency. "heptane; n-heptane, Index No. 601-008-00-2." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 142-82-5 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Regulation (EC) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Regulations
  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. First aid, Toxicology
  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. [↗] First aid, PPE, Toxicology
  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 2025)." United Nations, Geneva. [↗] Disposal, Regulations
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Storage
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Storage
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. National rules — Poland [↗] Disposal
  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. [↗] Toxicology

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Separator: comma, space, tab, new line. Minimum 3 measurements.
📐 Statistical formulas
  • x̄ = Σxᵢ / n — arithmetic mean
  • s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
  • s = √s² — standard deviation
  • RSD% = (s / x̄) × 100% — relative standard deviation
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs' test
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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

🧪 Buffer Recipe Calculator UNIQUE
References: pKa values from Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Choose a buffer from the list of 20 popular systems → enter the target pH → get an exact recipe with the masses to weigh out.

Step 1: Choose a buffer system

📜 Recipe history (last 10)
Pharmacological Status

Prekliniczny

Phase I
Phase II
Phase III
Approved

Preclinical — no human study data.

ChEMBL CHEMBL134658 ↗

🚚 Transport classification (ADR / IATA / IMDG)

UN 1206 — verify the transport class in ADR 2025 (Table A). Section 14 of the sheet gives a UN number, but without a confirmed ADR class.

Source: Karta SDS sek.14 (UN bez potwierdzonej klasy)

Sources: ADR 2025 ↗ · IATA DGR ↗ · IMDG Code ↗

📅 Project Planner — Lab Experiment Manager NEW

Plan your entire laboratory project: add experiments with reagents, replicates, and duration. You'll get a Gantt chart, a shopping list (with links to the store!), a budget with a 10% margin, and a GHS risk matrix.

🧪 Solubility and solvent compatibility
Molecule
Heptane
Formula
C7H16
logP (XLogP3)
4.40
Mass (g/mol)
100.20
Polarity
Hydrophobic (non-polar)

⚠️ HSP estimate (literature / group contribution). Indicative data — does not replace experimental studies.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 7..

Solvent Compat. Ra Visual GC-MS HPLC Applications References
Water (H₂O)0.003 g/L (measured)45.2
✗ NoA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)− Poor21.3
✗ NoA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)− Poor25.5
✗ NoA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetone− Poor12.5
✗ NoB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)− Poor19.0
✗ NoB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSO− Poor20.3
✗ NoN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF~ Avg.10.3
✗ NoB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)− Poor10.5
✓ YesB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)~ Avg.8.2
✓ YesN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane+ Good0.8
✓ YesA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene+ Good5.9
✓ YesB (NP) (NP)
NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)
📚 Scientific references for solvents (Chicago Author-Date) — click to expand

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

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 — peripheral neuropathy (n-hexane is NOT an IARC carcinogen)
  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
Solubility theory (applied in compatibility prediction):
  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) + Ra formula.
  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, solvatochromism.
  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 for dD/dP/dH from SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 142-82-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Check reaction compatibility
1 3 0
Health: 1/4
Flammability: 3/4
Reactivity: 0/4
Per NFPA 704 / calculated from H-codes

Check whether Heptane is compatible with another reagent

📦 Storage compatibility matrix
Acids Bases Oxidizers Flammable Toxic Gazy
Acids ✓ ✗ ✗ ✗ ⚠ ✗
Bases ✗ ✓ ⚠ ⚠ ⚠ ⚠
Oxidizers ✗ ⚠ ✓ ✗ ⚠ ✗
Flammable ✗ ⚠ ✗ ✓ ⚠ ✗
Toxic ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ Can be stored together · ⚠ Caution · ✗ Do NOT store together · OSHA Chemical Segregation ↗

Compatibility data from: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Laboratory calculators (8)
Dilution (C₁V₁=C₂V₂)
Molarity (M=n/V)
pH Buffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Mass → Moles
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases
📋 Laboratory protocol generator

Protocol generated based on: GHS SDS, Aldrich Lab Guide ↗

🏷️ Label generator (QR)
Heptane• n-Heptane / Heptan• IUPAC: heptane• CAS: 142-82-5• EC: 205-563-8• Formula: C7H16• Mass: 100.2 g/molDANGERGHS HAZARD STATEMENTS:H225 H304 H336 H315 H400 H410P301+P310 P302+P352 P303+P361+P353 P304+P340 P332+P313 P370+P378 P312P331 P391 P280 P501 P403+P235 P403+P233 P405 P210 P233 P240 P261P264 P271 P273Nonsensia Ltd124-128 City Road, EC1V 2NX London[email protected]molgod.orgBatch No.: Net Mass:
🧪 Solution preparation assistant (Smart Prep)

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📚 Scientific literature overview — CAS 142-82-5
⭐ Key findings (scientific literature) 19 publications
🏆 CAS 142-82-5 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Dibchak D, Mykhailiuk PK (2025) · Angewandte Chemie (International ed. in English)
    Why it matters: Recent (2025) · open access
    SCORE 9.49 Mechanism Citations: 11 Open Access DOI ↗ PubMed ↗
  2. #2
    et al. (2025) · Organic Letters
    Why it matters: Recent (2025) · open access
    SCORE 8.06 Mechanism Citations: 3 Open Access DOI ↗ PubMed ↗
  3. #3
    et al. (2026) · Organic Letters
    Why it matters: Recent (2026) · open access
    SCORE 7.85 Mechanism Open Access DOI ↗ PubMed ↗
  4. #4
    et al. (2025) · The Journal of Organic Chemistry
    Why it matters: Recent (2025)
    SCORE 7.34 Mechanism Citations: 6 DOI ↗ PubMed ↗
  5. #5
    et al. (2025) · ACS Omega
    Why it matters: Recent (2025) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  6. #6
    et al. (2026) · RSC Medicinal Chemistry
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  7. #7
    Sohan Lal; Haixiang Gao; Jean'ne M. Shreeve (2025) · Chemistry – An Asian Journal
    Why it matters: Recent (2025) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  8. #8
    et al. (2026) · RSC Advances
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  9. #9
    et al. (2026) · Mass Spectrometry
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  10. #10
    Luis Felipe Sanz, Juan Antonio González, Fernando Hevia et al. (2024) · arXiv (2410.00799v1)
    Why it matters: Recent (2024) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗
  11. #11
    Liang Ji, Kalyanasundaram Seshadri, Forman A. Williams (2024) · arXiv (2406.08507v1)
    Why it matters: Recent (2024) · open access
    SCORE 6.25 Mechanism Open Access
  12. #12
    et al. (2025) · Angewandte Chemie International Edition
    Why it matters: Recent (2025)
    SCORE 6.1 Mechanism Citations: 4 DOI ↗ PubMed ↗
  13. #13
    Jiguo Yang; Yue Wang; Er‐Qing Li (2025) · Chemistry – An Asian Journal
    Why it matters: Recent (2025)
    SCORE 4.8 Mechanism DOI ↗ PubMed ↗
  14. #14
    et al. (2025) · The Journal of Organic Chemistry
    Why it matters: Recent (2025)
    SCORE 4.8 Mechanism DOI ↗ PubMed ↗
  15. #15
    Abu Bakr S.H. Salem (1993) · Fluid Phase Equilibria
    Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 4.52 Mechanism Citations: 31 DOI ↗
  16. #16
    Mitsuo Takayama; Hirokazu Takanashi (2025) · Journal of the American Society for Mass Spectrometry
    Why it matters: Recent (2025)
    SCORE 4 Mechanism DOI ↗ PubMed ↗
  17. #17
    et al. (2025) · Bioorganic Chemistry
    Why it matters: Recent (2025)
    SCORE 4 Mechanism DOI ↗ PubMed ↗
  18. #18
    Auto-ignition characteristics and kinetic modeling study of PODE3/n-heptane blends
    et al. (2025)
    Why it matters: Recent (2025)
    SCORE 4 Mechanism
  19. #19
    L. T. Carmichael, B. H. Sage (1956) · AIChE Journal
    Why it matters: Historical paper (1956)
    SCORE 1.81 Historical Citations: 3 DOI ↗

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CAS 号: 142-82 — CAS 142-82-5, CAS 号: 142-82-5. Prepared from the supplier’s public catalogue; not verified against their internal data.

📄 Certificates of Analysis (CoA) CAS 142-82-5 none

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📚 Scientific references (Chicago Author-Date) — click to expand

Batch management and laboratory certification standards — 13 independent sources (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

  1. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
  2. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [link ↗] — Lab accreditation standard underpinning every CoA
  3. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [link ↗] — WHO TRS No. 957 — global reference for GMP
  4. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [link ↗] — Source for batch shelf-life and retest dating
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
  8. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [link ↗] — US legal mandate (Subpart J — Records and Reports)
  9. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [link ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
  12. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
  13. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [link ↗] — Excipient-grade CoA standard for non-API ingredients
📜 Patents (public metadata) no data

No public patent metadata was found for this substance in Crossref / OpenAlex at this time. Data will be updated automatically after the next cache refresh (24h).

📚 References (Chicago Author-Date) — click to expand
  1. et al.. (2026). "Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.". https://doi.org/10.1021/acs.orglett.6c02332
  2. et al.. (2026). "2,5-Diazabicyclo[2.2.1]heptane in medicinal chemistry: a treasure trove of therapeutic opportunities.". https://doi.org/10.1039/d5md00992h
  3. et al.. (2026). "Effect of oxygenated ferrocene derivatives on soot formation and nanoparticle emissions in n-heptane diffusion flames.". https://doi.org/10.1039/d5ra09720g
  4. et al.. (2026). "Atmospheric Pressure Corona Discharge Ionization of n-Heptane (I): Formation of the Molecular Ion M+• and Dehydrogenated Ions [M - 2H]+• and [M - nH]+ (n = 1, 3, 5).". https://doi.org/10.5702/massspectrometry.a0193
  5. et al.. (2025). "Selective P450BM3 Hydroxylation of the Spiro[3.3]heptane Core as a Route to Potential Drug Fragment Molecules.". https://doi.org/10.1021/acs.orglett.5c01265
  6. et al.. (2025). "Development of Indolo-Bicyclo[3.1.1]Heptane as a Carbazole Isostere Through Radical Indolization of Bicyclo[1.1.0]Butanes.". https://doi.org/10.1002/anie.202513774
  7. Dibchak D, Mykhailiuk PK. (2025). "3-Oxabicyclo[3.1.1]heptane as an Isostere of meta-Benzene.". Angewandte Chemie (International ed. in English). https://doi.org/10.1002/anie.202505519
  8. et al.. (2025). "Understanding the Reactivity of N-Heptane Blended with Ethanol or Ethyl Acetate.". https://doi.org/10.1021/acsomega.4c10828
  9. (2025). "Computational Access to 1,3,5,6,7-Pentanitro-3,6,7-Triazabicyclo-[3.1.1]-Heptane (UIX): A Powerful Potential Explosive with Zero Oxygen Balance.". https://doi.org/10.1002/asia.202500290
  10. (2025). "Recent Advances in the Synthesis of Bicyclo[4.1.0]Heptane Scaffolds.". https://doi.org/10.1002/asia.202500824
  11. (2025). "Field Ionization Mass Spectrometric and Quantum Chemical Analysis of Alkyl Fragment Ions Produced by Field Dissociation of n-Heptane, 2-Methyl Hexane, and 2-Methyl Heptane.". https://doi.org/10.1021/jasms.5c00127
  12. et al.. (2025). "Novel oxabicyclo[2.2.1]heptane-3-one derivatives with NO inhibitory and cytotoxic activities, and xanthone derivatives from the endolichenic fungus Exophiala sp.". https://doi.org/10.1016/j.bioorg.2025.108843
  13. et al.. (2025). "Desymmetrization of meso-Anhydride Enabled Enantioselective Synthesis of (-)-7-(Bromomethylene)-3-amidobicyclo[2.2.1]heptane-2-carboxamide, a Scaffold for Divergent Drug Discovery Synthesis.". https://doi.org/10.1021/acs.joc.5c02021
  14. et al.. (2025). "Highly Efficient Synthesis of Spiro[1-azabicyclo[3.2.0]heptane] Frameworks via [3+2]-Cycloaddition.". https://doi.org/10.1021/acs.joc.4c03183
  15. Abu Bakr S.H. Salem. (1993). "Liquid-liquid equilibria for the systems triethylene glycol - toluene - heptane, propylene carbonate - toluene - heptane and propylene carbonate -o-xylene- heptane". Fluid Phase Equilibria. https://doi.org/10.1016/0378-3812(93)87184-3
  16. L. T. Carmichael, B. H. Sage. (1956). "Diffusion coefficients in hydrocarbon systems: n‐heptane in the gas phase of the ethane–n‐heptane and propane–n‐heptane systems". AIChE Journal. https://doi.org/10.1002/aic.690020227
  17. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  18. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  19. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  20. 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.
  21. 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.
  22. 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.
  23. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  24. 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.
  25. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  26. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  27. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  28. Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/142-82-5?status=active&limit=10

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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 78 items

All scientific sources cited in the accordions above for CAS 142-82-5. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

  1. NIST. n.d. NIST Chemistry WebBook: CAS 142-82-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=142-82-5.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 142-82-5. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. PubChem Compound Summary: CAS 142-82-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=142-82-5.

📐 Standards / Guidelines

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  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.

📖 Books

  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://openlibrary.org/isbn/9780471879558.
  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.

📄 Scientific articles (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.

🌐 Websites

  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. ECHA — Annex VI to CLP (harmonised classification, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
  10. United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
  11. European Pharmacopoeia Commission. 2024. "2.2.46 Chromatographic Separation Techniques." In European Pharmacopoeia, 11th ed. Strasbourg: Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  12. International Council for Harmonisation (ICH). 2022. "ICH Q2(R2): Validation of Analytical Procedures." International Council for Harmonisation. https://database.ich.org/sites/default/files/ICH_Q2%28R2%29_Guideline_2022_1130.pdf.
  13. International Council for Harmonisation (ICH). 1996. "ICH Q3A: Impurities in New Drug Substances." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  14. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
  15. Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
  16. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
  17. Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
  18. EURACHEM/CITAC. 2012. "Quantifying Uncertainty in Analytical Measurement." 3rd ed. EURACHEM/CITAC Guide CG 4. https://www.eurachem.org/images/stories/Guides/pdf/QUAM2012_P1.pdf.
  19. International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
  20. Heckert, N. A., and J. J. Filliben. 2003. "NIST/SEMATECH e-Handbook of Statistical Methods." NIST Handbook 151. Gaithersburg, MD: National Institute of Standards and Technology. https://www.itl.nist.gov/div898/handbook/.
  21. Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
  22. Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
  23. Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
  24. Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
  25. International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
  26. Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
  27. United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
  28. International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
  29. International Maritime Organization. 2024. International Maritime Dangerous Goods (IMDG) Code, 2024 Edition (Amendment 42-24). London: IMO. https://www.imo.org/en/OurWork/Safety/Pages/DangerousGoods-default.aspx.
  30. United Nations. 2025. Recommendations on the Transport of Dangerous Goods: Model Regulations (Orange Book). 24th revised ed. ST/SG/AC.10/1/Rev.24. New York and Geneva: United Nations. https://unece.org/transport/dangerous-goods/un-model-regulations.
  31. International Civil Aviation Organization. 2025. Technical Instructions for the Safe Transport of Dangerous Goods by Air (Doc 9284). 2025–2026 ed. Montreal: ICAO. https://www.icao.int/safety/DangerousGoods/Pages/technical-instructions.aspx.
  32. European Commission. 2014. "Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC." Official Journal of the European Union. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32014D0955.
  33. Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. "Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów." Dziennik Ustaw RP 2020 poz. 10. https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20200000010. National rules — Poland
  34. Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. "Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych." Ministerstwo Klimatu i Środowiska. https://bdo.mos.gov.pl/. National rules — Poland
  35. Polska — Sejm RP. 2012. "Ustawa z dnia 14 grudnia 2012 r. o odpadach." Dz.U. 2013 poz. 21 (z późn. zm.). https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20130000021. National rules — Poland
  36. Furr, A. Keith, ed.. 2000. "CRC Handbook of Laboratory Safety." CRC Press.
  37. Pohanish, Richard P.. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." Elsevier.
  38. Lewis, Richard J.. 2012. "Sax's Dangerous Properties of Industrial Materials." Wiley.
  39. NIOSH. 2024. "Pocket Guide to Chemical Hazards." U.S. Department of Health and Human Services. https://www.cdc.gov/niosh/npg/.
  40. OSHA. 2024. "Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER)." Occupational Safety and Health Administration. https://www.osha.gov/chemicaldata.
  41. European Parliament and Council. 2008. "Directive 2008/98/EC on waste (Waste Framework Directive)." Official Journal of the European Union L 312/3. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008L0098.
  42. European Parliament and Council. 2009. "Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures." Official Journal of the European Union L 353. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272.
  43. United Nations Economic Commission for Europe (UNECE). 2023. "European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." UNECE. https://unece.org/transport/standards/transport/dangerous-goods/adr-2025.
  44. IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
  45. European Parliament and Council. 2006. "Regulation (EC) No 1013/2006 on Shipments of Waste." Official Journal of the European Union L 190: 1–98. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32006R1013.
  46. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q7%20Guideline.pdf.
  47. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
  48. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
  49. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  50. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  51. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. https://database.ich.org/sites/default/files/Q6A%20Guideline.pdf.
  52. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. https://database.ich.org/sites/default/files/Q10%20Guideline.pdf.
  53. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. https://www.ecfr.gov/current/title-21/chapter-I/subchapter-C/part-211.
  54. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-process-validation-finished-products-information-data-be-provided-regulatory-submissions-revision-1_en.pdf.
  55. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. https://www.uspnf.com/.
  56. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  57. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
  58. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. https://ipecamericas.org/sites/default/files/IPECPQGGMPGuide2017.pdf.
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COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Heptane · 142-82-5
InChIKey
IMNFDUFMRHMDMM-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Heptane (CAS 142-82-5)
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Heptane (CAS 142-82-5) →
MolGod molecule record
Heptane →
Source data
PubChem CID 8900 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
1063071c40048cfa82eb2f81da48b01081f5bb1cf98d64b36cd69a9c01528fb6
MD5 (STL)
ad271a71791fcbfac97f2b2dbe5dd089
MolGod Identification Number
MG_789-835-338-93
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
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Free printable molecule model
Download the model, print it and use it in education. When you publish a photo, a material or an adaptation, the CC BY-SA 4.0 International licence requires you to credit “MolGod Scientific” as the author of the model, link to the original and to the licence text, indicate any changes you made and share adaptations under the same licence. A ready-to-use attribution text is in this section. No sign-up, no fees and no obligation to leave a review.

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.