Dimethylbenzyl carbinyl crotonate

Base Information

• Chemical Name: Dimethylbenzyl carbinyl crotonate
• CAS No.: 93762-34-6
• Molecular Formula: C14H18 O2
• Molecular Weight: 218.2915
• European Community (EC) Number: 297-746-4
• UNII: HA5X7B2LLJ
• DSSTox Substance ID: DTXSID40905060
• Metabolomics Workbench ID: 45344
• Nikkaji Number: J504.907E,J333.426K
• Wikidata: Q27279819
• Mol file: 93762-34-6.mol

Synonyms:Dimethylbenzyl carbinyl crotonate;1,1-Dimethyl-2-phenylethyl 2-butenoate;93762-34-6;UNII-HA5X7B2LLJ;HA5X7B2LLJ;EINECS 297-746-4;2-methyl-1-phenylpropan-2-yl but-2-enoate;(2-methyl-1-phenylpropan-2-yl) (E)-but-2-enoate;2-Butenoic acid, 1,1-dimethyl-2-phenylethyl ester;FEMA NO. 4403;DTXSID40905060;CHEBI:180845;OKLPIYCKVVLHCP-XBXARRHUSA-N;1,1-DIMETHYLPHENETYL CROTONATE;DIMETHYLBENZYL CARBINYL CROTONATE [FHFI];Q27279819

Chemical Property of Dimethylbenzyl carbinyl crotonate

Chemical Property:

• Vapor Pressure: 0.000549mmHg at 25°C
• Boiling Point: 311.8°Cat760mmHg
• Flash Point: 163.8°C
• PSA: 26.30000
• Density: 0.999g/cm³
• LogP: 3.12700
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 218.130679813
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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