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Substance Name: 2,2-Dimethylmalonic acid
RN: 595-46-0
UNII: 55981WKX6B
InChIKey: OREAFAJWWJHCOT-UHFFFAOYSA-N

Molecular Formula

  • C5-H8-O4

Molecular Weight

  • 132.114
 
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Names and Synonyms

Name of Substance

  • 2,2-Dimethylmalonic acid

Synonyms

  • 2,2-Propanedicarboxylic acid
  • Dimethylmalonic acid
  • EINECS 209-867-1
  • NSC 836
  • UNII-55981WKX6B

Systematic Names

  • Dimethylmalonic acid
  • Malonic acid, dimethyl- (8CI)
  • Propanedioic acid, 2,2-dimethyl-
  • Propanedioic acid, dimethyl-

Registry Numbers

CAS Registry Number

  • 595-46-0

FDA UNII

  • 55981WKX6B

System Generated Number

  • 0000595460

Structure Descriptors

InChI

1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)

InChIKey

OREAFAJWWJHCOT-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 192 dec deg C   EXP
pKa Dissociation Constant 3.15 (none) 25 EXP
log P (octanol-water) 0.39 (none)   EXP
Water Solubility 9.00E+04 mg/L 13 EXP
Vapor Pressure 1.40E-03 mm Hg 25 EST
Henry's Law Constant 7.18E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.37E-12 cm3/molecule-sec 25 EST

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