2-(3,5-Dimethylphenyl)ethyl isobutyrate

Base Information

• Chemical Name: 2-(3,5-Dimethylphenyl)ethyl isobutyrate
• CAS No.: 94134-80-2
• Molecular Formula: C14H20 O2
• Molecular Weight: 220.3074
• European Community (EC) Number: 302-850-0
• UNII: QSY8L852YM
• DSSTox Substance ID: DTXSID20240729
• Nikkaji Number: J368.257I
• Wikidata: Q83123767
• Mol file: 94134-80-2.mol

Synonyms:2-(3,5-Dimethylphenyl)ethyl isobutyrate;94134-80-2;QSY8L852YM;EINECS 302-850-0;UNII-QSY8L852YM;2-(3,5-dimethylphenyl)ethylisobutyrate;2-(3,5-dimethylphenyl)ethyl 2-methylpropanoate;DTXSID20240729;2-Methylpropionic acid 2-(3,5-dimethylphenyl)ethyl ester;Propanoic acid, 2-methyl-, 2-(3,5-dimethylphenyl)ethyl ester

Chemical Property of 2-(3,5-Dimethylphenyl)ethyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.00104mmHg at 25°C
• Boiling Point: 301.7°Cat760mmHg
• Flash Point: 111.3°C
• PSA: 26.30000
• Density: 0.98g/cm³
• LogP: 3.04510
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)CCOC(=O)C(C)C)C