Benzoic acid, 2-(4-methylbenzoyl)-, 2-propenyl ester

Base Information

• Chemical Name: Benzoic acid, 2-(4-methylbenzoyl)-, 2-propenyl ester
• CAS No.: 71042-88-1
• Molecular Formula: C18H16O3
• Molecular Weight: 280.32
• DSSTox Substance ID: DTXSID9072232
• Nikkaji Number: J446.662D
• Wikidata: Q82000189
• Mol file: 71042-88-1.mol

Synonyms:71042-88-1;Benzoic acid, 2-(4-methylbenzoyl)-, 2-propenyl ester;prop-2-enyl 2-(4-methylbenzoyl)benzoate;2-(4-Methylbenzoyl)benzoic acid, 2-propenyl ester;Benzoic acid, 2-(4-methylbenzoyl)-, 2-propen-1-yl ester;DTXSID9072232;SCHEMBL11125722;2-(4-Methylbenzoyl)benzoic acid 2-propenyl ester

Chemical Property of Benzoic acid, 2-(4-methylbenzoyl)-, 2-propenyl ester

Chemical Property:

• Vapor Pressure: 2.33E-07mmHg at 25°C
• Boiling Point: 422.9°C at 760 mmHg
• Flash Point: 186.5°C
• PSA: 43.37000
• Density: 1.122g/cm³
• LogP: 3.56880
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 280.109944368
• Heavy Atom Count: 21
• Complexity: 380

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC=C