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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isopropyl valerate

SMILES

CCCCC(=O)OC(C)C

InChI

InChIKey=OCAIYHCKLADPEG-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-4-5-6-8(9)10-7(2)3/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Isopropyl valerate
Systematic Name English
Valeric acid, isopropyl ester
Common Name English
Isopropyl pentanoate
Systematic Name English
Pentanoic acid, 1-methylethyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10171457
Created by admin on Sat Dec 16 10:09:00 GMT 2023 , Edited by admin on Sat Dec 16 10:09:00 GMT 2023
PRIMARY
FDA UNII
7S68A8S3WM
Created by admin on Sat Dec 16 10:09:00 GMT 2023 , Edited by admin on Sat Dec 16 10:09:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
242-235-3
Created by admin on Sat Dec 16 10:09:00 GMT 2023 , Edited by admin on Sat Dec 16 10:09:00 GMT 2023
PRIMARY
CAS
18362-97-5
Created by admin on Sat Dec 16 10:09:00 GMT 2023 , Edited by admin on Sat Dec 16 10:09:00 GMT 2023
PRIMARY
PUBCHEM
87598
Created by admin on Sat Dec 16 10:09:00 GMT 2023 , Edited by admin on Sat Dec 16 10:09:00 GMT 2023
PRIMARY