Isoprene

Base Information

• Chemical Name: Isoprene
• CAS No.: 68441-58-7
• Deprecated CAS: 78006-92-5,823271-95-0,2378489-72-4,9041-64-9,9041-65-0,51731-84-1,37231-42-8
• Molecular Formula: [CR2CR=C(CR3)CR2]n,R=HorCl
• Molecular Weight: 68.117
• European Community (EC) Number: 201-143-3,614-502-8
• ICSC Number: 0904
• NSC Number: 9237
• UN Number: 1218
• UNII: 0A62964IBU
• DSSTox Substance ID: DTXSID2020761
• Nikkaji Number: J1.958E
• Wikipedia: Isoprene
• Wikidata: Q271943,Q83056853
• NCI Thesaurus Code: C29824
• RXCUI: 1364275
• Metabolomics Workbench ID: 55076
• ChEMBL ID: CHEMBL1566132
• Mol file: 68441-58-7.mol

Synonyms:2-methyl-1,3-butadiene;isoprene

Chemical Property of Isoprene

Chemical Property:

• Boiling Point: 34.1 °C at 760 mmHg
• Flash Point: °C
• Density: 0.674 g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 68.062600255
• Heavy Atom Count: 5
• Complexity: 51.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Plastics & Rubber -> Other Monomers,Plastics & Rubber -> Polymers
• Canonical SMILES: CC(=C)C=C
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance and the vapour are moderately irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system. This may result in respiratory depression and lowering of consciousness. If swallowed the substance easily enters the airways and could result in aspiration pneumonitis.
• Effects of Long Term Exposure: Repeated or prolonged inhalation may cause effects on the lungs. This substance is possibly carcinogenic to humans. May cause heritable genetic damage to human germ cells.