Ethyl acetoacetate

C6H10O3CAS 141-97-9130.14 g/mol

Open in Covalent MOL file
OOO
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
Flash point
70 °C (closed cup)
Water solubility
28.6 g/L (20 °C)
logP
0.53Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2,392 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

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

Weigh it out

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

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

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 141-97-9. Each row opens the sheet with its composition and PDF.

Open in the SDS library

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

Similar compounds

Diethyl malonate105-53-370 % similar Ethyl levulinate539-88-867 % similar Ethyl 5-oxohexanoate13984-57-164 % similar Butyl acetoacetate591-60-662 % similar Diethyl 1,3-acetonedicarboxylate105-50-062 % similar 2-Methoxyethyl 3-oxobutanoate22502-03-059 % similar Ethyl 2,4-dioxovalerate615-79-257 % similar Isobutyl acetoacetate7779-75-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl 4-hydroxycrotonate10080-68-9 Ethyl 2-[(2S)-oxiran-2-yl]acetate112083-63-3 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 (R)-2,2-Dimethyl-1,3-dioxolane-4-carbaldehyde15186-48-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia