Pentane

Base Information

• Chemical Name: Pentane
• CAS No.: 68476-55-1
• Deprecated CAS: 8031-35-4,2063998-93-4
• Molecular Formula: C5H12
• Molecular Weight: 72.1488
• European Community (EC) Number: 203-692-4,926-217-9,927-826-2
• ICSC Number: 0534
• NSC Number: 72415
• UN Number: 1265
• UNII: 4FEX897A91
• DSSTox Substance ID: DTXSID2025846
• Nikkaji Number: J15I
• Wikipedia: Pentane
• Wikidata: Q150429,Q83048341,Q83051837,Q83050152
• Metabolomics Workbench ID: 5278
• ChEMBL ID: CHEMBL16102
• Mol file: 68476-55-1.mol

Synonyms:n-pentane;pentane

Chemical Property of Pentane

Chemical Property:

• Boiling Point: 35.2°Cat760mmHg
• Flash Point: °C
• Density: 0.649g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 72.093900383
• Heavy Atom Count: 5
• Complexity: 7.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCCC
• Recent EU Clinical Trials: PERMIXON? 160 mg hard capsule versus placebo in the treatment of
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: If swallowed the substance easily enters the airways and could result in aspiration pneumonitis. Inhalation of high concentrations of the vapour may cause depression of the central nervous system.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.