1,5-Dimethylhex-4-enyl isobutyrate

Base Information

• Chemical Name: 1,5-Dimethylhex-4-enyl isobutyrate
• CAS No.: 85030-17-7
• Molecular Formula: C12H22O2
• Molecular Weight: 198.30188
• European Community (EC) Number: 285-142-3
• DSSTox Substance ID: DTXSID201005396
• Nikkaji Number: J309.603C
• Mol file: 85030-17-7.mol

Synonyms:1,5-Dimethylhex-4-enyl isobutyrate;EINECS 285-142-3;85030-17-7;6-methylhept-5-en-2-yl 2-methylpropanoate;DTXSID201005396;2-Methylpropanoic acid 1,5-dimethyl-4-hexenyl ester;Propanoic acid, 2-methyl-, 1,5-dimethyl-4-hexenyl ester

Chemical Property of 1,5-Dimethylhex-4-enyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.144mmHg at 25°C
• Boiling Point: 215.9°C at 760 mmHg
• Flash Point: 58.3°C
• PSA: 26.30000
• Density: 0.884g/cm³
• LogP: 3.32050
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OC(C)CCC=C(C)C