1,1-Dimethyl-2-phenylethyl isobutyrate

Base Information

• Chemical Name: 1,1-Dimethyl-2-phenylethyl isobutyrate
• CAS No.: 59354-71-1
• Molecular Formula: C14H20 O2
• Molecular Weight: 220.31
• European Community (EC) Number: 261-715-3
• DSSTox Substance ID: DTXSID1069324
• Nikkaji Number: J183.041D
• Wikidata: Q63409315
• Mol file: 59354-71-1.mol

Synonyms:1,1-dimethyl-2-phenylethyl isobutyrate

Chemical Property of 1,1-Dimethyl-2-phenylethyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.00232mmHg at 25°C
• Boiling Point: 288.6°C at 760 mmHg
• Flash Point: 102.5°C
• PSA: 26.30000
• Density: 0.978g/cm³
• LogP: 3.20690
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

DIMETHYLBENZYL-CARBINOL ISO-BUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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