U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H18O3
Molecular Weight 186.2481
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 2-ACETYLHEXANOATE

SMILES

CCCCC(C(C)=O)C(=O)OCC

InChI

InChIKey=ZTOQBHVLCJERBS-UHFFFAOYSA-N
InChI=1S/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
ETHYL 2-ACETYLHEXANOATE
Systematic Name English
FEMA NO. 4452
Code English
ETHYL 2-ACETYLHEXANOATE, (±)-
Systematic Name English
ETHYL .ALPHA.-BUTYLACETOACETATE
Systematic Name English
NSC-11771
Code English
NSC-25322
Code English
ETHYL 2-BUTYL-3-OXOBUTANOATE
Systematic Name English
2-ACETYLHEXANOIC ACID ETHYL ESTER
Systematic Name English
CAPROIC ACID, .ALPHA.-ACETYL-, ETHYL ESTER
Common Name English
3-CARBETHOXY-2-HEPTANONE
Systematic Name English
(±)-ETHYL 2-ACETYLHEXANOATE
Systematic Name English
HEXANOIC ACID, 2-ACETYL-, ETHYL ESTER
Common Name English
ETHYL 2-BUTYLACETYLACETATE
Systematic Name English
ETHYL 2-BUTYLACETOACETATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION ETHYL 2-ACETYLHEXANOATE
Created by admin on Sat Dec 16 00:44:40 GMT 2023 , Edited by admin on Sat Dec 16 00:44:40 GMT 2023
Code System Code Type Description
FDA UNII
CKN84UW7SK
Created by admin on Sat Dec 16 00:44:40 GMT 2023 , Edited by admin on Sat Dec 16 00:44:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID20862687
Created by admin on Sat Dec 16 00:44:40 GMT 2023 , Edited by admin on Sat Dec 16 00:44:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-271-5
Created by admin on Sat Dec 16 00:44:40 GMT 2023 , Edited by admin on Sat Dec 16 00:44:40 GMT 2023
PRIMARY
PUBCHEM
95466
Created by admin on Sat Dec 16 00:44:40 GMT 2023 , Edited by admin on Sat Dec 16 00:44:40 GMT 2023
PRIMARY
CAS
1540-29-0
Created by admin on Sat Dec 16 00:44:40 GMT 2023 , Edited by admin on Sat Dec 16 00:44:40 GMT 2023
PRIMARY
JECFA MONOGRAPH
1931
Created by admin on Sat Dec 16 00:44:40 GMT 2023 , Edited by admin on Sat Dec 16 00:44:40 GMT 2023
PRIMARY
NSC
11771
Created by admin on Sat Dec 16 00:44:40 GMT 2023 , Edited by admin on Sat Dec 16 00:44:40 GMT 2023
PRIMARY
NSC
25322
Created by admin on Sat Dec 16 00:44:40 GMT 2023 , Edited by admin on Sat Dec 16 00:44:40 GMT 2023
PRIMARY