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Details

Stereochemistry RACEMIC
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl α-acetylbutyrate

SMILES

CCOC(=O)C(CC)C(C)=O

InChI

InChIKey=OKANYBNORCUPKZ-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H14O3
Molecular Weight 158.195
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:27:37 GMT 2023
Edited
by admin
on Sat Dec 16 19:27:37 GMT 2023
Record UNII
Y65CB79AQC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl α-acetylbutyrate
Common Name English
ETHYL 2-ETHYL-3-OXOBUTANOATE
Systematic Name English
ETHYL 2-ACETYLBUTYRATE
Systematic Name English
ETHYL 2-ETHYLACETYLACETATE
Systematic Name English
2-ETHYLACETOACETIC ACID ETHYL ESTER
Systematic Name English
NSC-53775
Code English
ETHYL 2-ETHYL-3-KETOBUTYRATE
Systematic Name English
ETHYL .ALPHA.-ETHYLACETOACETATE
Systematic Name English
BUTANOIC ACID, 2-ETHYL-3-OXO-, ETHYL ESTER
Systematic Name English
2-ETHYL-3-OXOBUTANOIC ACID ETHYL ESTER
Systematic Name English
ETHYL 2-ACETYLBUTANOATE
Systematic Name English
ACETOACETIC ACID, 2-ETHYL-, ETHYL ESTER
Systematic Name English
ETHYL 2-ETHYL-3-OXOBUTYRATE
Systematic Name English
ETHYL 2-ETHYLACETOACETATE
Systematic Name English
Code System Code Type Description
CAS
607-97-6
Created by admin on Sat Dec 16 19:27:37 GMT 2023 , Edited by admin on Sat Dec 16 19:27:37 GMT 2023
PRIMARY
NSC
53775
Created by admin on Sat Dec 16 19:27:37 GMT 2023 , Edited by admin on Sat Dec 16 19:27:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID40862285
Created by admin on Sat Dec 16 19:27:37 GMT 2023 , Edited by admin on Sat Dec 16 19:27:37 GMT 2023
PRIMARY
FDA UNII
Y65CB79AQC
Created by admin on Sat Dec 16 19:27:37 GMT 2023 , Edited by admin on Sat Dec 16 19:27:37 GMT 2023
PRIMARY
PUBCHEM
79065
Created by admin on Sat Dec 16 19:27:37 GMT 2023 , Edited by admin on Sat Dec 16 19:27:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-151-6
Created by admin on Sat Dec 16 19:27:37 GMT 2023 , Edited by admin on Sat Dec 16 19:27:37 GMT 2023
PRIMARY
CAS
105139-93-3
Created by admin on Sat Dec 16 19:27:37 GMT 2023 , Edited by admin on Sat Dec 16 19:27:37 GMT 2023
SUPERSEDED
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE