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Details

Stereochemistry RACEMIC
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HEPTYL BUTYRATE

SMILES

CCCCCC(C)OC(=O)CCC

InChI

InChIKey=GTKUPJHQSAPWLL-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-4-6-7-9-10(3)13-11(12)8-5-2/h10H,4-9H2,1-3H3

HIDE SMILES / InChI

Approval Year

Patents
Name Type Language
2-HEPTYL BUTYRATE
Systematic Name English
(±)- HEPTAN-2-YL BUTYRATE [FHFI]
Common Name English
HEPTAN-2-YL BUTYRATE, (±)-
Systematic Name English
(±)-HEPTAN-2-YL BUTYRATE
Systematic Name English
2-HEPTYL BUTANOATE
Systematic Name English
BUTANOIC ACID, 1-METHYLHEXYL ESTER
Common Name English
FEMA NO. 3981
Code English
Classification Tree Code System Code
JECFA EVALUATION (+/-)HEPTAN-2-YL BUTYRATE
Created by admin on Fri Dec 15 19:15:41 GMT 2023 , Edited by admin on Fri Dec 15 19:15:41 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
1076
Created by admin on Fri Dec 15 19:15:41 GMT 2023 , Edited by admin on Fri Dec 15 19:15:41 GMT 2023
PRIMARY
CAS
39026-94-3
Created by admin on Fri Dec 15 19:15:41 GMT 2023 , Edited by admin on Fri Dec 15 19:15:41 GMT 2023
PRIMARY
PUBCHEM
529496
Created by admin on Fri Dec 15 19:15:41 GMT 2023 , Edited by admin on Fri Dec 15 19:15:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID80865937
Created by admin on Fri Dec 15 19:15:41 GMT 2023 , Edited by admin on Fri Dec 15 19:15:41 GMT 2023
PRIMARY
FDA UNII
BFT3C3F90P
Created by admin on Fri Dec 15 19:15:41 GMT 2023 , Edited by admin on Fri Dec 15 19:15:41 GMT 2023
PRIMARY