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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H14O
Molecular Weight 138.2069
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-ISOPHORONE

SMILES

CC1=CC(C)(C)CC(=O)C1

InChI

InChIKey=LKOKKQDYMZUSCG-UHFFFAOYSA-N
InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.-ISOPHORONE
Common Name English
.BETA.-PHORONE
Common Name English
CROCUSATIN E
Common Name English
3-CYCLOHEXEN-1-ONE, 3,5,5-TRIMETHYL-
Systematic Name English
3,5,5-TRIMETHYL-3-CYCLOHEXEN-1-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90197034
Created by admin on Fri Dec 15 20:18:11 GMT 2023 , Edited by admin on Fri Dec 15 20:18:11 GMT 2023
PRIMARY
PUBCHEM
10108
Created by admin on Fri Dec 15 20:18:11 GMT 2023 , Edited by admin on Fri Dec 15 20:18:11 GMT 2023
PRIMARY
WIKIPEDIA
beta-Isophorone
Created by admin on Fri Dec 15 20:18:11 GMT 2023 , Edited by admin on Fri Dec 15 20:18:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-434-1
Created by admin on Fri Dec 15 20:18:11 GMT 2023 , Edited by admin on Fri Dec 15 20:18:11 GMT 2023
PRIMARY
CAS
471-01-2
Created by admin on Fri Dec 15 20:18:11 GMT 2023 , Edited by admin on Fri Dec 15 20:18:11 GMT 2023
PRIMARY
FDA UNII
R817UQW62V
Created by admin on Fri Dec 15 20:18:11 GMT 2023 , Edited by admin on Fri Dec 15 20:18:11 GMT 2023
PRIMARY