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Substance Name: Diethylmalonic acid
RN: 510-20-3
UNII: QHT44LOC3W
InChIKey: LTMRRSWNXVJMBA-UHFFFAOYSA-N

Note

  • Isomer of diethyl malonate which is a di-ester.

Molecular Formula

  • C7-H12-O4

Molecular Weight

  • 160.168
 
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Names and Synonyms

Name of Substance

  • Diethylmalonic acid

Synonyms

  • 3,3-Pentanedicarboxylic acid
  • Diethylmalonic acid
  • EINECS 208-111-8
  • NSC 1986
  • UNII-QHT44LOC3W

Systematic Names

  • Diethylmalonic acid
  • Malonic acid, diethyl- (8CI)
  • Propanedioic acid, 2,2-diethyl-
  • Propanedioic acid, diethyl-

Registry Numbers

CAS Registry Number

  • 510-20-3

FDA UNII

  • QHT44LOC3W

System Generated Number

  • 0000510203

Structure Descriptors

InChI

1S/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)

InChIKey

LTMRRSWNXVJMBA-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 127 dec deg C   EXP
log P (octanol-water) 0.610 (none)   EST
Water Solubility 6.50E+05 mg/L 16 EXP
Atmospheric OH Rate Constant 3.67E-12 cm3/molecule-sec 25 EST

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