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Substance Name: Methyl oxalate
RN: 553-90-2
UNII: IQ3Q79344S
InChIKey: LOMVENUNSWAXEN-UHFFFAOYSA-N

Molecular Formula

  • C4-H6-O4

Molecular Weight

  • 118.0874
 
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Names and Synonyms

Name of Substance

  • Methyl oxalate

Synonyms

  • AI3-21214
  • Dimethyl oxalate
  • EINECS 209-053-6
  • Ethanedioic acid, dimethyl ester
  • Methyl oxalate
  • NSC 9374
  • Oxalic acid dimethyl ester
  • UNII-IQ3Q79344S

Systematic Names

  • Dimethyl oxalate
  • Ethanedioic acid, 1,2-dimethyl ester
  • Ethanedioic acid, dimethyl ester
  • Oxalic acid, dimethyl ester

Registry Numbers

CAS Registry Number

  • 553-90-2

FDA UNII

  • IQ3Q79344S

System Generated Number

  • 0000553902

Structure Descriptors

InChI

InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3

InChIKey

LOMVENUNSWAXEN-UHFFFAOYSA-N

Smiles

COC(=O)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 15, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54.3 deg C   EXP
Boiling Point 163.5 deg C   EXP
log P (octanol-water) -0.17 (none)   EXP
Water Solubility 6.03E+04 mg/L 25 EXP
Vapor Pressure 1.14 mm Hg 25 EXP
Henry's Law Constant 2.94E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.35E-13 cm3/molecule-sec 25 EST

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