Ethyl Acetoacetate
Ethyl_acetoacetate synonyms
ethyl acetylacetonate; Butanoic acid, 3-oxo-, ethyl ester; ethyl beta-ketobutyrate; active acetyl acetate; 3-oxobutanoic acid ethyl ester; Ethyl acetoacetate sodium salt; Ethyl 3-oxobutanoate; Acetoacetic acid, ethyl ester; butanoic acid, 3-oxo-ethyl ester; ethyl-acetoacetate; ethyl acetylacetate
Graphical representations:
View large 3D structure
Molecular Formula: C6H10O3
Natural Isotopic Abundance Mass: 130.1418
Mono-Isotopic Molecular Masses:
- C12N14: 130.0629941873
- C13N14: 136.0831232141
- C12N15: 130.0629941873
- C13N15: 136.0831232141
InChI string: InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
PubChem Compound (CID): 8868CAS Registry number: 20412-62-8
MMCD: cq_02089
MDL number: MFCD00044220
CAS Registry number: 141-97-9
Sigma-Aldrich: 164100_ALDRICH
EPA DSSTox: 27093
ZINC: ZINC05650471
ChEMBL: CHEMBL169176
ChemSpider: 13865426
NMRShiftDB: 10016867
KEGG Compound ID: C03500
NIST: 2817390235
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)