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

Details

Stereochemistry RACEMIC
Molecular Formula C9H16O2
Molecular Weight 156.2221
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-BUTYL-4-METHYLDIHYDRO-2(3H)-FURANONE, (Z)-

SMILES

CCCC[C@H]1OC(=O)C[C@H]1C

InChI

InChIKey=WNVCMFHPRIBNCW-HTQZYQBOSA-N
InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H16O2
Molecular Weight 156.2221
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:49:59 GMT 2023
Edited
by admin
on Fri Dec 15 18:49:59 GMT 2023
Record UNII
O93PZ85MTG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-BUTYL-4-METHYLDIHYDRO-2(3H)-FURANONE, (Z)-
Common Name English
CIS-METHYLOCTANOLIDE
Common Name English
CIS-3-METHYL-4-OCTANOLIDE
Common Name English
2(3H)-FURANONE, 5-BUTYLDIHYDRO-4-METHYL-, (4R,5R)-REL-
Systematic Name English
CIS-.BETA.-METHYL-.GAMMA.-OCTALACTONE
Common Name English
WHISKEY LACTONE, (Z)-
Common Name English
CIS-WHISKEY LACTONE
Common Name English
BETA-METHYL-GAMMA-OCTALACTONE, CIS-
Common Name English
CIS-OAKLACTONE
Common Name English
FEMA NO. 3803, Z-
Code English
(±)-CIS-WHISKEY LACTONE
Common Name English
5-BUTYL-4-METHYLDIHYDROFURAN-2(3H)-ONE, (Z)-
Common Name English
2(3H)-FURANONE, 5-BUTYLDIHYDRO-4-METHYL-, CIS-
Systematic Name English
Code System Code Type Description
CAS
55013-32-6
Created by admin on Fri Dec 15 18:49:59 GMT 2023 , Edited by admin on Fri Dec 15 18:49:59 GMT 2023
PRIMARY
PUBCHEM
41285
Created by admin on Fri Dec 15 18:49:59 GMT 2023 , Edited by admin on Fri Dec 15 18:49:59 GMT 2023
PRIMARY
FDA UNII
O93PZ85MTG
Created by admin on Fri Dec 15 18:49:59 GMT 2023 , Edited by admin on Fri Dec 15 18:49:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID801009384
Created by admin on Fri Dec 15 18:49:59 GMT 2023 , Edited by admin on Fri Dec 15 18:49:59 GMT 2023
PRIMARY
WIKIPEDIA
CIS-3-METHYL-4-OCTANOLIDE
Created by admin on Fri Dec 15 18:49:59 GMT 2023 , Edited by admin on Fri Dec 15 18:49:59 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE