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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL CAPRYLATE

SMILES

CCCCCCCC(=O)OC(C)C

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOPROPYL CAPRYLATE
Systematic Name English
NSC-23737
Code English
ISOPROPYL OCTANOATE
Systematic Name English
OCTANOIC ACID, 1-METHYLETHYL ESTER
Common Name English
OCTANOIC ACID, ISOPROPYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
GHK5I7U9ZD
Created by admin on Fri Dec 15 16:07:08 GMT 2023 , Edited by admin on Fri Dec 15 16:07:08 GMT 2023
PRIMARY
PUBCHEM
21606
Created by admin on Fri Dec 15 16:07:08 GMT 2023 , Edited by admin on Fri Dec 15 16:07:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID30203007
Created by admin on Fri Dec 15 16:07:08 GMT 2023 , Edited by admin on Fri Dec 15 16:07:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-721-2
Created by admin on Fri Dec 15 16:07:08 GMT 2023 , Edited by admin on Fri Dec 15 16:07:08 GMT 2023
PRIMARY
NSC
23737
Created by admin on Fri Dec 15 16:07:08 GMT 2023 , Edited by admin on Fri Dec 15 16:07:08 GMT 2023
PRIMARY
CAS
5458-59-3
Created by admin on Fri Dec 15 16:07:08 GMT 2023 , Edited by admin on Fri Dec 15 16:07:08 GMT 2023
PRIMARY