Isopentane

Base Information

• Chemical Name: Isopentane
• CAS No.: 68513-65-5
• Deprecated CAS: 68923-44-4,92046-46-3,1326305-74-1,92046-46-3
• Molecular Formula: C5H12
• Molecular Weight: 58.1222
• ICSC Number: 1153
• NSC Number: 119476
• UN Number: 1265
• UNII: ZH67814I0O
• DSSTox Substance ID: DTXSID8025468
• Nikkaji Number: J4.222F
• Wikipedia: Isopentane
• Wikidata: Q422703,Q83068916
• NCI Thesaurus Code: C63387
• Metabolomics Workbench ID: 54167
• ChEMBL ID: CHEMBL1797287
• Mol file: 68513-65-5.mol

Synonyms:2-methylbutane;isopentane

Chemical Property of Isopentane

Chemical Property:

• Vapor Pressure: 727mmHg at 25°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 0.612g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 72.093900383
• Heavy Atom Count: 5
• Complexity: 14
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCC(C)C
• 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.