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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 3-OXOHEXANOATE

SMILES

CCCC(=O)CC(=O)OCC

InChI

InChIKey=KQWWVLVLVYYYDT-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Free radical reaction between 2-benzoyl-1,4-benzoquinones and 1,3-dicarbonyl compounds.
2009 Oct 7
Patents
Name Type Language
ETHYL 3-OXOHEXANOATE
FHFI  
Systematic Name English
FEMA NO. 3683
Code English
ETHYL 3-KETOHEXANOATE
Systematic Name English
ETHYL BUTYROYLACETATE
Systematic Name English
ETHYL .ALPHA.-BUTYRYLACETATE
Systematic Name English
3-OXOHEXANOIC ACID ETHYL ESTER
Systematic Name English
ETHYL 3-PROPYL-3-OXOPROPANOATE
Systematic Name English
HEXANOIC ACID, 3-OXO-, ETHYL ESTER
Common Name English
ETHYL BUTYRYLACETATE
Systematic Name English
NSC-42868
Code English
ETHYL BUTYROACETATE
Common Name English
CAPROIC ACID, .BETA.-OXO-, ETHYL ESTER
Common Name English
BUTYRYLACETIC ACID ETHYL ESTER
Systematic Name English
ETHYL 3-OXOHEXANOATE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ETHYL 3-OXOHEXANOATE
Created by admin on Fri Dec 15 19:50:11 GMT 2023 , Edited by admin on Fri Dec 15 19:50:11 GMT 2023
Code System Code Type Description
FDA UNII
8Q1AHG710E
Created by admin on Fri Dec 15 19:50:11 GMT 2023 , Edited by admin on Fri Dec 15 19:50:11 GMT 2023
PRIMARY
CHEBI
18119
Created by admin on Fri Dec 15 19:50:11 GMT 2023 , Edited by admin on Fri Dec 15 19:50:11 GMT 2023
PRIMARY
JECFA MONOGRAPH
1109
Created by admin on Fri Dec 15 19:50:11 GMT 2023 , Edited by admin on Fri Dec 15 19:50:11 GMT 2023
PRIMARY
PUBCHEM
238498
Created by admin on Fri Dec 15 19:50:11 GMT 2023 , Edited by admin on Fri Dec 15 19:50:11 GMT 2023
PRIMARY
NSC
42868
Created by admin on Fri Dec 15 19:50:11 GMT 2023 , Edited by admin on Fri Dec 15 19:50:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-835-9
Created by admin on Fri Dec 15 19:50:11 GMT 2023 , Edited by admin on Fri Dec 15 19:50:11 GMT 2023
PRIMARY
CAS
3249-68-1
Created by admin on Fri Dec 15 19:50:11 GMT 2023 , Edited by admin on Fri Dec 15 19:50:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID00186217
Created by admin on Fri Dec 15 19:50:11 GMT 2023 , Edited by admin on Fri Dec 15 19:50:11 GMT 2023
PRIMARY