3-Cyclohexylpropyl isobutyrate

Base Information

• Chemical Name: 3-Cyclohexylpropyl isobutyrate
• CAS No.: 94021-78-0
• Molecular Formula: C13H24 O2
• Molecular Weight: 212.32846
• European Community (EC) Number: 301-469-7
• UNII: X3UA42TGL4
• DSSTox Substance ID: DTXSID00240247
• Nikkaji Number: J367.931D
• Wikidata: Q83123008
• Mol file: 94021-78-0.mol

Synonyms:3-Cyclohexylpropyl isobutyrate;94021-78-0;X3UA42TGL4;EINECS 301-469-7;UNII-X3UA42TGL4;3-cyclohexylpropyl 2-methylpropanoate;DTXSID00240247;2-Methylpropionic acid 3-cyclohexylpropyl ester

Chemical Property of 3-Cyclohexylpropyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.0171mmHg at 25°C
• Boiling Point: 254.6°Cat760mmHg
• Flash Point: 105.9°C
• PSA: 26.30000
• Density: 0.921g/cm³
• LogP: 3.54610
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 181

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)OCCCC1CCCCC1