Cyclohexylmethyl isovalerate

Base Information

• Chemical Name: Cyclohexylmethyl isovalerate
• CAS No.: 15840-95-6
• Molecular Formula: C12H22O2
• Molecular Weight: 198.30188
• Hs Code.: 2915900090
• European Community (EC) Number: 239-944-5
• DSSTox Substance ID: DTXSID20166415
• Nikkaji Number: J219.852E
• Wikidata: Q83035600
• Mol file: 15840-95-6.mol

Synonyms:Cyclohexylmethyl isovalerate;cyclohexylmethyl 3-methylbutanoate;15840-95-6;EINECS 239-944-5;SCHEMBL2905523;DTXSID20166415;3-Methylbutyric acid cyclohexylmethyl ester

Chemical Property of Cyclohexylmethyl isovalerate

Chemical Property:

• Vapor Pressure: 0.0436mmHg at 25°C
• Refractive Index: 1.447
• Boiling Point: 237.9 °C at 760 mmHg
• Flash Point: 95 °C
• PSA: 26.30000
• Density: 0.927 g/cm³
• LogP: 3.15600
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)OCC1CCCCC1