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Substance Name: Methylmalonic acid
RN: 516-05-2
UNII: 8LL8S712J7
InChIKey: ZIYVHBGGAOATLY-UHFFFAOYSA-N

Note

  • A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA.

Molecular Formula

  • C4-H6-O4

Molecular Weight

  • 118.087
 
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Names and Synonyms

Name of Substance

  • Methylmalonic acid

MeSH Heading

  • Methylmalonic acid

Synonyms

  • 1,1-Ethanedicarboxylic acid
  • 2-Methylmalonic acid
  • 4-02-00-01932 (Beilstein Handbook Reference)
  • AI3-19472
  • BRN 1756084
  • EINECS 208-219-5
  • Isosuccinic acid
  • Methylmalonic acid
  • NSC 25201
  • UNII-8LL8S712J7

Systematic Names

  • Malonic acid, methyl-
  • Methylmalonic acid
  • Propanedioic acid, methyl- (9CI)

Registry Numbers

CAS Registry Number

  • 516-05-2

FDA UNII

  • 8LL8S712J7

System Generated Number

  • 0000516052

Structure Descriptors

InChI

1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)

InChIKey

ZIYVHBGGAOATLY-UHFFFAOYSA-N

Smiles

C(C(O)=O)(C(O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02314,
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 222, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 135 dec deg C   EXP
pKa Dissociation Constant 3.12 (none) 20 EXP
log P (octanol-water) -0.830 (none)   EST
Water Solubility 6.79E+05 mg/L 25 EXP
Vapor Pressure 3.04E-03 mm Hg 25 EST
Henry's Law Constant 5.41E-12 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.