Octane

Base Information

• Chemical Name: Octane
• CAS No.: 31372-91-5
• Deprecated CAS: 31372-91-5
• Molecular Formula: C8H18
• European Community (EC) Number: 203-892-1,608-610-4
• ICSC Number: 0933
• NSC Number: 9822
• UN Number: 1262
• UNII: X1RV0B2FJV
• DSSTox Substance ID: DTXSID0026882
• Nikkaji Number: J10.709C
• Wikipedia: Octane
• Wikidata: Q150681
• Metabolomics Workbench ID: 4707
• ChEMBL ID: CHEMBL134886

Synonyms:n-octane;octane

Chemical Property of Octane

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 114.140850574
• Heavy Atom Count: 8
• Complexity: 25
• Transport DOT Label: Flammable Liquid

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCCCCCC
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. Exposure to high concentrations of vapour could cause lowering of consciousness.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. The substance defats the skin, which may cause dryness or cracking.

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