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Substance Name: Benzoylpropionic acid
RN: 2051-95-8
UNII: UV05GZ4D9Z
InChIKey: KMQLIDDEQAJAGJ-UHFFFAOYSA-N

Molecular Formula

  • C10-H10-O3

Molecular Weight

  • 178.186
 
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Names and Synonyms

Name of Substance

  • Benzoylpropionic acid

Synonyms

  • 3-Benzoylpropanoic acid
  • 3-Benzoylpropionic acid
  • 4-Oxo-4-phenylbutyric acid
  • AI3-03666
  • beta-Benzoylpropionic acid
  • EINECS 218-135-0
  • NSC 2092
  • NSC 229040
  • NSC 51010
  • Propanoic acid, 3-benzoyl-
  • UNII-UV05GZ4D9Z

Systematic Names

  • 3-Benzoylpropionic acid
  • Benzenebutanoic acid, gamma-oxo-
  • Propionic acid, 3-benzoyl- (8CI)

Registry Numbers

CAS Registry Number

  • 2051-95-8

FDA UNII

  • UV05GZ4D9Z

System Generated Number

  • 0002051958

Structure Descriptors

InChI

1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)

InChIKey

KMQLIDDEQAJAGJ-UHFFFAOYSA-N

Smiles

C(=O)(CCC(=O)O)c1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 117-119 deg C   EXP
log P (octanol-water) 1.3 (none)   EXP
Water Solubility 1.08E+04 mg/L 25 EST
Vapor Pressure 9.73E-05 mm Hg 25 EST
Henry's Law Constant 9.69E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.89E-12 cm3/molecule-sec 25 EST

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