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Substance Name: Benzilic acid
RN: 76-93-7
UNII: 8F6J993XXR
InChIKey: UKXSKSHDVLQNKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H12-O3

Molecular Weight

  • 228.2458
 
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Names and Synonyms

Name of Substance

  • Benzilic acid

Synonyms

  • 4-10-00-01256 (Beilstein Handbook Reference)
  • Acide diphenylhydroxyacetique
  • Acide diphenylhydroxyacetique [French]
  • AI3-06300
  • alpha-Hydroxy-2,2-diphenylacetic acid
  • alpha-Hydroxy-alpha-phenylbenzeneacetic acid
  • Benzilic acid
  • Benzylic acid
  • BRN 0521402
  • Diphenylglycolic acid
  • Diphenylhydroxyacetic acid
  • EINECS 200-993-2
  • Glycolic acid, diphenyl-
  • HSDB 7709
  • Hydroxydiphenylacetic acid
  • Mandelic acid, alpha-phenyl-
  • NSC 2830
  • UNII-8F6J993XXR

Systematic Names

  • Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-
  • Benzilic acid

Registry Numbers

CAS Registry Number

  • 76-93-7

FDA UNII

  • 8F6J993XXR

System Generated Number

  • 0000076937

Structure Descriptors

InChI

1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)

InChIKey

UKXSKSHDVLQNKG-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccccc2)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.
mouse LD50 subcutaneous 1300mg/kg (1300mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 151 deg C   EXP
pKa Dissociation Constant 3.05 (none) 18 EXP
log P (octanol-water) 2.3 (none)   EXP
Water Solubility 1410 mg/L 25 EXP
Vapor Pressure 2.32E-08 mm Hg 25 EST
Henry's Law Constant 5.57E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.25E-12 cm3/molecule-sec 25 EST

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