3-Cyclohexylpropyl valerate

Base Information

• Chemical Name: 3-Cyclohexylpropyl valerate
• CAS No.: 93857-91-1
• Molecular Formula: C14H26 O2
• Molecular Weight: 226.35504
• European Community (EC) Number: 299-225-7
• DSSTox Substance ID: DTXSID40239796
• Nikkaji Number: J317.703C
• Wikidata: Q83122269
• Mol file: 93857-91-1.mol

Synonyms:3-Cyclohexylpropyl valerate;EINECS 299-225-7;93857-91-1;DTXSID40239796;Valeric acid 3-cyclohexylpropyl ester

Chemical Property of 3-Cyclohexylpropyl valerate

Chemical Property:

• Vapor Pressure: 0.0037mmHg at 25°C
• Boiling Point: 280.8°C at 760 mmHg
• Flash Point: 121.7°C
• PSA: 26.30000
• Density: 0.918g/cm³
• LogP: 4.08030
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 226.193280068
• Heavy Atom Count: 16
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OCCCC1CCCCC1

Refernces