1-Phenylethyl valerate

Base Information

• Chemical Name: 1-Phenylethyl valerate
• CAS No.: 3460-43-3
• Molecular Formula: C13H18 O2
• Molecular Weight: 206.28082
• European Community (EC) Number: 222-407-4
• DSSTox Substance ID: DTXSID90956103
• Nikkaji Number: J155.065I,J771.502A,J771.503J
• Mol file: 3460-43-3.mol

Synonyms:1-Phenylethyl valerate;3460-43-3;EINECS 222-407-4;1-phenylethyl pentanoate;SCHEMBL873119;DTXSID90956103;Pentanoic acid 1-phenylethyl ester;AKOS017010201;Valeric acid, .alpha.-methylbenzyl ester;Valeric acid (R)-alpha-methylbenzyl ester;Pentanoic acid (S)-alpha-methylbenzyl ester

Chemical Property of 1-Phenylethyl valerate

Chemical Property:

• Vapor Pressure: 0.00817mmHg at 25°C
• Boiling Point: 267.4°Cat760mmHg
• Flash Point: 98.2°C
• PSA: 26.30000
• Density: 0.986g/cm³
• LogP: 3.48100
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• 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)OC(C)C1=CC=CC=C1