Carvyl-3-methylbutyrate

Base Information

• Chemical Name: Carvyl-3-methylbutyrate
• CAS No.: 94386-39-7
• Molecular Formula: C15H24 O2
• Molecular Weight: 236.34986
• European Community (EC) Number: 305-261-7
• DSSTox Substance ID: DTXSID00869235
• Nikkaji Number: J382.773I
• Mol file: 94386-39-7.mol

Synonyms:Carvyl-3-methylbutyrate;94386-39-7;Carvyl isovalerate;EINECS 305-261-7;UNII-38IM3837JJ;(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 3-methylbutanoate;2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl isovalerate;SCHEMBL19919442;DTXSID00869235;38IM3837JJ;2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl 3-methylbutanoate;3-Methylbutyric acid 2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl ester;Butanoic acid, 3-methyl-, 2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl ester

Chemical Property of Carvyl-3-methylbutyrate

Chemical Property:

• Vapor Pressure: 0.00141mmHg at 25°C
• Boiling Point: 296.7°Cat760mmHg
• Flash Point: 125.7°C
• PSA: 26.30000
• Density: 0.94g/cm³
• LogP: 3.87670
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 326

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC(CC1OC(=O)CC(C)C)C(=C)C