Benzyl 2,3-dimethylcrotonate

Base Information

• Chemical Name: Benzyl 2,3-dimethylcrotonate
• CAS No.: 7492-69-5
• Molecular Formula: C13H16O2
• Molecular Weight: 204.26
• European Community (EC) Number: 616-168-9
• UNII: Q2Z1O33EAA
• DSSTox Substance ID: DTXSID20225894
• Nikkaji Number: J1.536.419J
• Wikidata: Q27286936
• Metabolomics Workbench ID: 47280
• Mol file: 7492-69-5.mol

Synonyms:benzyl 2,3-dimethylbut-2-enoate;BENZYL 2,3-DIMETHYLCROTONATE;Benzyl methyltiglate;7492-69-5;Benzyl 2,3-dimethyl-2-butenoate;Phenylmethyl 2,3-dimethyl-2-butenoate;FEMA No. 2143;2-Butenoic acid, 2,3-dimethyl-, phenylmethyl ester;Crotonic acid, 2,3-dimethyl-, benzyl ester;UNII-Q2Z1O33EAA;Q2Z1O33EAA;BENZYL METHYL TIGLATE;SCHEMBL859883;FEMA 2143;DTXSID20225894;2,3-Dimethylcrotonic acid benzyl ester;BENZYL 2,3-DIMETHYLCROTONATE [FHFI];FT-0712449;EN300-7206915;Q27286936

Chemical Property of Benzyl 2,3-dimethylcrotonate

Chemical Property:

• Vapor Pressure: 0.0025mmHg at 25°C
• Boiling Point: 287.3°C at 760 mmHg
• Flash Point: 147°C
• PSA: 26.30000
• Density: 1.013g/cm³
• LogP: 3.08610
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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