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Substance Name: Diethyl acetonedicarboxylate
RN: 105-50-0
UNII: Q0CC9NL00V
InChIKey: ZSANYRMTSBBUCA-UHFFFAOYSA-N

Molecular Formula

  • C9-H14-O5

Molecular Weight

  • 202.205
 
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Names and Synonyms

Name of Substance

  • Diethyl acetonedicarboxylate

Synonyms

  • 3-Oxoglutaric acid, diethyl ester
  • 3-Oxopentanedioic acid diethyl ester
  • Acetonedicarboxylic acid diethyl ester
  • AI3-06002
  • Butanoic acid, (ethoxycarbonyl)-3-oxo-, ethyl ester
  • Diethyl 1,3-acetone dicarboxylate
  • Diethyl 1,3-acetonedicarboxylate
  • Diethyl 3-oxoglutarate
  • Diethyl 3-oxopentanedioate
  • Diethyl acetone dicarboxylate
  • Diethyl acetonedicarboxylate (VAN)
  • Diethyl beta-oxoglutarate
  • EINECS 203-302-2
  • Ethyl 3-oxoglutarate
  • Ethyl acetonedicarboxylate
  • NSC 9013
  • UNII-Q0CC9NL00V

Systematic Names

  • Diethyl 3-oxoglutarate
  • Glutaric acid, 3-oxo-, diethyl ester (8CI)
  • Pentanedioic acid, 3-oxo-, 1,5-diethyl ester
  • Pentanedioic acid, 3-oxo-, diethyl ester

Registry Numbers

CAS Registry Number

  • 105-50-0

FDA UNII

  • Q0CC9NL00V

Other Registry Number

  • 31096-04-5

System Generated Number

  • 0000105500

Structure Descriptors

InChI

1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3

InChIKey

ZSANYRMTSBBUCA-UHFFFAOYSA-N

Smiles

CCOC(CC(=O)CC(OCC)=O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 250 deg C   EXP
log P (octanol-water) -0.170 (none)   EST
Atmospheric OH Rate Constant 3.76E-12 cm3/molecule-sec 25 EST

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