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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
ethyl 3-oxobutanoate

Inventory

EC number:
205-516-1
EC name:
Ethyl acetoacetate
CAS number:
141-97-9
CAS number:
141-97-9
Synonyms
Names:
3-oxybutanoic acid ethyl ester
Butanoic acid, 3-oxo-, ethyl ester
Butanoic acid, 3-oxo-, ethyl ester
acetoacetic acid ethyl ester
ethyl acetylacetate
Identifier:
IUPAC name
Ethyl 3-oxobutanoate
Identifier:
IUPAC name
ethyl acetoacetate
Identifier:
other: InChl
1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
Identifier:
other: SMILES notation
C(C(=O)OCC)C(=O)C
Identifier:
other: Molecular formula
C6-H10-O3
Identifier:
other: Molecular formula
C6H10O3
Identifier:
other: SMILES notation
CCOC(=O)CC(=O)C
Identifier:
other: InChl
InChI=1/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
Identifier:
other: InChl
InChI=1/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
Identifier:
other: InChl
InChI=1/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
ethyl 3-oxobutanoate

Molecular and structural information

Molecular formula:
C6H10O3
Molecular weight:
130.14
SMILES notation:
CCOC(=O)CC(C)=O
InChl:
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
Structural formula:
Chemical structure

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