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

Details

Stereochemistry RACEMIC
Molecular Formula C7H12O2
Molecular Weight 128.169
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-4-HEXANOLIDE

SMILES

CC(C)C1CCC(=O)O1

InChI

InChIKey=XTFLBVQDKFPSCS-UHFFFAOYSA-N
InChI=1S/C7H12O2/c1-5(2)6-3-4-7(8)9-6/h5-6H,3-4H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
5-METHYL-4-HEXANOLIDE
Common Name English
.GAMMA.-ISOPROPYL-.GAMMA.-BUTYROLACTONE
Preferred Name English
.GAMMA.-ISOPROPYLBUTYROLACTONE
Common Name English
HEXANOIC ACID, 4-HYDROXY-5-METHYL-, .GAMMA.-LACTONE
Common Name English
2(3H)-FURANONE, DIHYDRO-5-(1-METHYLETHYL)-
Systematic Name English
4-ISOPROPYL-4-BUTANOLIDE
Common Name English
DIHYDRO-5-ISOPROPYL-2(3H)-FURANONE
Systematic Name English
Code System Code Type Description
CAS
38624-29-2
Created by admin on Mon Mar 31 22:07:55 GMT 2025 , Edited by admin on Mon Mar 31 22:07:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID20538911
Created by admin on Mon Mar 31 22:07:55 GMT 2025 , Edited by admin on Mon Mar 31 22:07:55 GMT 2025
PRIMARY
FDA UNII
RTZ80RVT6C
Created by admin on Mon Mar 31 22:07:55 GMT 2025 , Edited by admin on Mon Mar 31 22:07:55 GMT 2025
PRIMARY
PUBCHEM
13382542
Created by admin on Mon Mar 31 22:07:55 GMT 2025 , Edited by admin on Mon Mar 31 22:07:55 GMT 2025
PRIMARY