(Methoxyphenyl)methyl isovalerate

Base Information

• Chemical Name: (Methoxyphenyl)methyl isovalerate
• CAS No.: 71617-09-9
• Molecular Formula: C13H18 O3
• Molecular Weight: 222.28022
• European Community (EC) Number: 275-700-4
• DSSTox Substance ID: DTXSID60992179
• Wikidata: Q82982223
• Mol file: 71617-09-9.mol

Synonyms:(Methoxyphenyl)methyl isovalerate;71617-09-9;EINECS 275-700-4;(2-methoxyphenyl)methyl 3-methylbutanoate;DTXSID60992179;Butanoic acid, 3-methyl-, (methoxyphenyl)methyl ester

Chemical Property of (Methoxyphenyl)methyl isovalerate

Chemical Property:

• Vapor Pressure: 0.0024mmHg at 25°C
• Boiling Point: 288°C at 760 mmHg
• Flash Point: 116.2°C
• PSA: 35.53000
• Density: 1.028g/cm³
• LogP: 2.78450
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 213

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)OCC1=CC=CC=C1OC