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

Molecular Formula C7H12O2
Molecular Weight 128.169
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:30:46 UTC 2023
Edited
by admin
on Sat Dec 16 08:30:46 UTC 2023
Record UNII
RTZ80RVT6C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYL-4-HEXANOLIDE
Common 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
.GAMMA.-ISOPROPYL-.GAMMA.-BUTYROLACTONE
Common Name English
Code System Code Type Description
CAS
38624-29-2
Created by admin on Sat Dec 16 08:30:46 UTC 2023 , Edited by admin on Sat Dec 16 08:30:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID20538911
Created by admin on Sat Dec 16 08:30:46 UTC 2023 , Edited by admin on Sat Dec 16 08:30:46 UTC 2023
PRIMARY
FDA UNII
RTZ80RVT6C
Created by admin on Sat Dec 16 08:30:46 UTC 2023 , Edited by admin on Sat Dec 16 08:30:46 UTC 2023
PRIMARY
PUBCHEM
13382542
Created by admin on Sat Dec 16 08:30:46 UTC 2023 , Edited by admin on Sat Dec 16 08:30:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Oriental tobacco is a sun-cured, highly aromatic, small-leafed variety (Nicotiana tabacum) that is grown in Turkey, Greece, Bulgaria, Lebanon, and the Republic of Macedonia. https://en.wikipedia.org/wiki/Types_of_tobacco