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Substance Name: Methyl glyoxal
RN: 78-98-8
UNII: 722KLD7415
InChIKey: AIJULSRZWUXGPQ-UHFFFAOYSA-N

Note

  • An organic compound used often as a reagent in organic synthesis, as a flavoring agent, and in tanning. It has been demonstrated as an intermediate in the metabolism of acetone and its derivatives in isolated cell preparations, in various culture media, and in vivo in certain animals.

Molecular Formula

  • C3-H4-O2

Molecular Weight

  • 72.0626
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Methyl glyoxal
  • Pyruvaldehyde

MeSH Heading

  • Pyruvaldehyde

Synonyms

  • 1-Ketopropionaldehyde
  • 2-Ketopropionaldehyde
  • 2-Oxopropanal
  • 2-Oxopropionaldehyde
  • 4-01-00-03631 (Beilstein Handbook Reference)
  • Acetalformaldehyde
  • Acetylformaldehyde
  • Acetylformyl
  • alpha-Ketopropionaldehyde
  • alpha-Ketopropionic aldehyde
  • BRN 0906750
  • CCRIS 1741
  • EC 201-164-8
  • EINECS 201-164-8
  • FEMA No. 2969
  • Glyoxal, methyl
  • HSDB 7510
  • Methyl glyoxal
  • Methylglyoxal
  • NSC 337790
  • NSC 626580
  • NSC 79019
  • Propanal, 2-oxo-
  • Propanedione
  • Propanolone
  • Propionaldehyde, 2-keto
  • Propionaldehyde, 2-oxo-
  • Pyroracemic aldehyde
  • Pyruvaldehyde
  • Pyruvic aldehyde
  • UNII-722KLD7415

Systematic Names

  • Methyl glyoxal
  • Propanal, 2-oxo-
  • Pyruvaldehyde

Superlist Names

  • Methylglyoxal
  • Pyruvaldehyde

Registry Numbers

CAS Registry Number

  • 78-98-8

FDA UNII

  • 722KLD7415

System Generated Number

  • 0000078988

Structure Descriptors

InChI

InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3

InChIKey

AIJULSRZWUXGPQ-UHFFFAOYSA-N

Smiles

CC(=O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 179mg/kg (179mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 intravenous 252mg/kg (252mg/kg)   Cesko-Slovenska Farmacie. Vol. 15, Pg. 300, 1966.
rat LD50 oral 1165mg/kg (1165mg/kg)   Ecotoxicology and Environmental Safety. Vol. 2, Pg. 369, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 72 deg C   EXP
log P (octanol-water) -1.500 (none)   EST
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 26.7 mm Hg 25 EST
Henry's Law Constant 2.70E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.72E-11 cm3/molecule-sec 25 EXP

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