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Substance Name: Benzoic acid, 2-benzoyl-, methyl ester
RN: 606-28-0
InChIKey: NQSMEZJWJJVYOI-UHFFFAOYSA-N

Molecular Formula

  • C15-H12-O3

Molecular Weight

  • 240.257
 
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Names and Synonyms

Synonyms

  • 2-Benzoylbenzoic acid, methyl ester
  • AI3-00516
  • EINECS 210-112-3
  • Methyl 2-benzoylbenzoate
  • Methyl o-benzoylbenzoate
  • NSC 3797
  • o-(Methoxycarbonyl)benzophenone

Systematic Names

  • Benzoic acid, 2-benzoyl-, methyl ester
  • Benzoic acid, o-benzoyl-, methyl ester (8CI)
  • Methyl 2-benzoylbenzoate

Registry Numbers

CAS Registry Number

  • 606-28-0

System Generated Number

  • 0000606280

Structure Descriptors

InChI

1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3

InChIKey

NQSMEZJWJJVYOI-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(OC)=O)C(c1ccccc1)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 52 deg C   EXP
Boiling Point 351 deg C   EXP
log P (octanol-water) 2.7 (none)   EXP
Water Solubility 80 mg/L 25 EXP
Vapor Pressure 1.53E-05 mm Hg 25 EST
Henry's Law Constant 1.25E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.39E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.