chempirical

Diethyl oxalacetate

C8H12O5CAS 108-56-5188.18 g/mol

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EsterKetone

Properties

Molecular formula
C8H12O5
Molar mass
188.18 g/mol
Exact mass
188.0685 Da
Density
1.1324 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
132 °C
logP
0.07Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
108-56-5
SMILES
CCOC(=O)CC(=O)C(=O)OCC
InChIKey
JDXYSCUOABNLIR-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h3-5H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names
  • Butanedioic acid, 2-oxo-, 1,4-diethyl ester
  • Oxalacetic acid, diethyl ester
  • Butanedioic acid, oxo-, diethyl ester
  • Oxalacetic ester
  • Diethyl oxaloacetate
  • 2-Oxobutanedioic acid diethyl ester
  • Diethyl oxobutanedioate
  • Diethyl oxosuccinate
  • Diethyl 2-oxosuccinate
  • NSC 68476
  • Diethyl 2-oxobutanedioate
  • 1,4-Diethyl 2-oxobutanedioate

Work with Diethyl oxalacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl malonate105-53-364 % similar Ethyl 2,4-dioxovalerate615-79-263 % similar Ethyl 2,4-dioxohexanoate13246-52-161 % similar Ethyl 2-oxobutanoate15933-07-061 % similar Diethyl 1,3-acetonedicarboxylate105-50-057 % similar Ethyl 2-oxovalerate50461-74-057 % similar Ethyl bromopyruvate70-23-557 % similar Diethyl oxalate95-92-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,4-Dimethyl 2-acetylbutanedioate10420-33-4 2,3-O-Isopropylidene-D-ribonolactone30725-00-9 Dimethyl 3-oxohexanedioate5457-44-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook