chempirical

Ethyl acetoacetate

C6H10O3CAS 141-97-9130.14 g/mol

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EsterKetone

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
Density
1.0282 g/mL (at 20 °C)
Melting point
−45 °C
Boiling point
180.8 °C
logP
0.53Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
141-97-9
SMILES
CCOC(=O)CC(C)=O
InChIKey
XYIBRDXRRQCHLP-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3

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Names and synonyms

16 names · show all
  • Butanoic acid, 3-oxo-, ethyl ester
  • Acetoacetic acid, ethyl ester
  • EAA
  • Ethyl 3-oxobutanoate
  • Ethyl 3-oxobutyrate
  • Ethyl acetylacetate
  • 1-Ethoxybutane-1,3-dione
  • Ethyl acetonecarboxylate
  • 3-Oxobutanoic acid ethyl ester
  • Ethyl 3-ketobutyrate
  • NSC 37390
  • NSC 8657
  • Ethyl 2-acetoacetate
  • 3-Oxobutyric acid ethyl ester
  • Acetylacetic acid ethyl ester
  • Ethyl 2-methyl-3-oxopropionate

Work with Ethyl acetoacetate

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

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl (2S)-2-oxiraneacetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 (±)-3-Methyl-2-oxovaleric acid1460-34-0 Ethyl 2-oxobutanoate15933-07-0 (4S)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde22323-80-4

Elsewhere

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