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Substance Name: Methyl malonate
RN: 108-59-8
UNII: EM8Y79998C
InChIKey: BEPAFCGSDWSTEL-UHFFFAOYSA-N

Note

  • Do not confuse with methylmalonate, i.e., malonic acid substituted with a methyl group on C2.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H8-O4

Molecular Weight

  • 132.1142
 
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Names and Synonyms

Name of Substance

  • Methyl malonate

Synonyms

  • CCRIS 8981
  • Dimethyl 1,3-propanedioate
  • Dimethyl malonate
  • Dimethyl propanedioate
  • EC 203-597-8
  • EINECS 203-597-8
  • Methyl malonate
  • UNII-EM8Y79998C

Systematic Names

  • Dimethyl malonate
  • Malonic acid, dimethyl ester
  • Propanedioic acid, 1,3-dimethyl ester
  • Propanedioic acid, dimethyl ester

Superlist Name

  • Malonic acid, dimethyl ester

Registry Numbers

CAS Registry Number

  • 108-59-8

FDA UNII

  • EM8Y79998C

System Generated Number

  • 0000108598

Structure Descriptors

InChI

1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3

InChIKey

BEPAFCGSDWSTEL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 363, 1979.
rat LD50 oral 5331mg/kg (5331mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 363, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.19E+01 deg C   EXP
Boiling Point 181.4 deg C   EXP
log P (octanol-water) -0.05 (none)   EXP
Water Solubility 9.95E+04 mg/L 25 EST
Vapor Pressure 14.7 mm Hg 25 EST
Henry's Law Constant 4.17E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.25E-13 cm3/molecule-sec 25 EST

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