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Substance Name: Phenylglyoxylic acid
RN: 611-73-4
UNII: 2PZL5A0W0M
InChIKey: FAQJJMHZNSSFSM-UHFFFAOYSA-N

Note

  • Styrene metabolite.

Molecular Formula

  • C8-H6-O3

Molecular Weight

  • 150.132
 
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Names and Synonyms

Name of Substance

  • Phenylglyoxylic acid

Synonyms

  • 2-Oxo-2-phenylacetic acid
  • 2-Phenylethanoic acid
  • 4-10-00-02737 (Beilstein Handbook Reference)
  • AI3-26708
  • alpha-Ketophenylacetic acid
  • alpha-Oxobenzeneacetic acid
  • Benzeneglyoxylic acid
  • Benzoylformic acid
  • BRN 0606718
  • EINECS 210-278-7
  • Formic acid, benzoyl-
  • Glyoxylic acid, phenyl-
  • NSC 28293
  • Oxophenylacetic acid
  • Phenylgloxylic acid
  • Phenylglyoxalate
  • Phenylglyoxylic acid
  • Phenyloxoacetic acid
  • UNII-2PZL5A0W0M

Systematic Names

  • Benzeneacetic acid, alpha-oxo- (9CI)
  • Benzeneglyoxylic acid
  • Benzoylformic acid
  • Glyoxylic acid, phenyl- (8CI)

Registry Numbers

CAS Registry Number

  • 611-73-4

FDA UNII

  • 2PZL5A0W0M

Related Registry Numbers

  • 43165-51-1 (sodium)
  • 52009-50-4 (calcium)
  • 63468-90-6 (potassium)

System Generated Number

  • 0000611734

Structure Descriptors

InChI

1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)

InChIKey

FAQJJMHZNSSFSM-UHFFFAOYSA-N

Smiles

c1(C(C(O)=O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04110,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 66 deg C   EXP
log P (octanol-water) 1.200 (none)   EST
Water Solubility 9.20E+05 mg/L 0 EXP
Vapor Pressure 6.60E-04 mm Hg 25 EST
Henry's Law Constant 4.32E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.30E-12 cm3/molecule-sec 25 EST

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