4-Methylbenzyl 2-methylbutyrate

Base Information

• Chemical Name: 4-Methylbenzyl 2-methylbutyrate
• CAS No.: 94231-43-3
• Molecular Formula: C13H18 O2
• Molecular Weight: 206.28082
• European Community (EC) Number: 303-860-8
• DSSTox Substance ID: DTXSID40869214
• Nikkaji Number: J382.563I
• Mol file: 94231-43-3.mol

Synonyms:4-Methylbenzyl 2-methylbutyrate;94231-43-3;EINECS 303-860-8;Butanoic acid, 2-methyl-, (4-methylphenyl)methyl ester;(4-methylphenyl)methyl 2-methylbutanoate;SCHEMBL12116549;DTXSID40869214;2-Methylbutanoic acid (4-methylphenyl)methyl ester

Chemical Property of 4-Methylbenzyl 2-methylbutyrate

Chemical Property:

• Vapor Pressure: 0.00536mmHg at 25°C
• Boiling Point: 274.6°C at 760 mmHg
• Flash Point: 103°C
• PSA: 26.30000
• Density: 0.989g/cm³
• LogP: 3.08430
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 193

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)OCC1=CC=C(C=C1)C