3-Cyclohexylpropyl isovalerate

Base Information

• Chemical Name: 3-Cyclohexylpropyl isovalerate
• CAS No.: 93857-92-2
• Molecular Formula: C14H26 O2
• Molecular Weight: 226.35504
• European Community (EC) Number: 299-226-2
• DSSTox Substance ID: DTXSID00239797
• Nikkaji Number: J317.704A
• Wikidata: Q83122270
• Mol file: 93857-92-2.mol

Synonyms:3-Cyclohexylpropyl isovalerate;93857-92-2;EINECS 299-226-2;BUTANOIC ACID,3-METHYL-, 3-CYCLOHEXYLPROPYL ESTER;DTXSID00239797;3-Methylbutyric acid 3-cyclohexylpropyl ester;Butanoic acid,3-methyl-,3-cyclohexylpropyl ester

Chemical Property of 3-Cyclohexylpropyl isovalerate

Chemical Property:

• Vapor Pressure: 0.00669mmHg at 25°C
• Boiling Point: 270.8°Cat760mmHg
• Flash Point: 116.6°C
• PSA: 26.30000
• Density: 0.916g/cm³
• LogP: 3.93620
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 226.193280068
• Heavy Atom Count: 16
• Complexity: 193

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)OCCCC1CCCCC1