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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H24O2
Molecular Weight 200.3178
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL OCTANOATE

SMILES

CCCCCCCC(=O)OCC(C)C

InChI

InChIKey=CFQRBRGFNFRMBD-UHFFFAOYSA-N
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOBUTYL OCTANOATE
Systematic Name English
2-METHYLPROPYL OCTANOATE
Systematic Name English
ISOBUTYL CAPRYLATE
Common Name English
NSC-23943
Code English
OCTANOIC ACID, ISOBUTYL ESTER
Systematic Name English
OCTANOIC ACID, 2-METHYLPROPYL ESTER
Systematic Name English
Code System Code Type Description
CAS
5461-06-3
Created by admin on Sat Dec 16 08:57:29 GMT 2023 , Edited by admin on Sat Dec 16 08:57:29 GMT 2023
PRIMARY
FDA UNII
6GT8657GUF
Created by admin on Sat Dec 16 08:57:29 GMT 2023 , Edited by admin on Sat Dec 16 08:57:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID3063916
Created by admin on Sat Dec 16 08:57:29 GMT 2023 , Edited by admin on Sat Dec 16 08:57:29 GMT 2023
PRIMARY
NSC
23943
Created by admin on Sat Dec 16 08:57:29 GMT 2023 , Edited by admin on Sat Dec 16 08:57:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-744-8
Created by admin on Sat Dec 16 08:57:29 GMT 2023 , Edited by admin on Sat Dec 16 08:57:29 GMT 2023
PRIMARY
PUBCHEM
79582
Created by admin on Sat Dec 16 08:57:29 GMT 2023 , Edited by admin on Sat Dec 16 08:57:29 GMT 2023
PRIMARY