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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H12O2
Molecular Weight 152.1904
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6,6-TRIMETHYLCYCLOHEX-2-ENE-1,4-DIONE

SMILES

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

InChI

InChIKey=AYJXHIDNNLJQDT-UHFFFAOYSA-N
InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H12O2
Molecular Weight 152.1904
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Composition of sulla (Hedysarum coronarium L.) honey solvent extractives determined by GC/MS: norisoprenoids and other volatile organic compounds.
2010-09-09
Volatile composition screening of Salix spp. nectar honey: benzenecarboxylic acids, norisoprenoids, terpenes, and others.
2010-09
A variety of volatile compounds as markers in unifloral honey from dalmatian sage (Salvia officinalis L.).
2006-12
Generation of aroma compounds from Ditaxis heterantha by Saccharomyces cerevisiae.
2006-08
In situ product recovery (ISPR) by crystallization: basic principles, design, and potential applications in whole-cell biocatalysis.
2006-06
Use of SPME-GC-MS in the study of time evolution of the constituents of saffron aroma: modifications of the composition during storage.
2006-01
Cloning and overexpression of the old yellow enzyme gene of Candida macedoniensis, and its application to the production of a chiral compound.
2004-10-19
Anthropogenic organic contaminants in sediments of the Lippe river, Germany.
2004-09
In situ product removal using a crystallization loop in asymmetric reduction of 4-oxoisophorone by Saccharomyces cerevisiae.
2004-06-30
Molecular markers of anthropogenic activity in sediments of the Havel and Spree Rivers (Germany).
2003-06
Chemicals with sweet aroma descriptors found in Portuguese wines from the Douro region: 2,6,6-trimethylcyclohex-2-ene-1,4-dione and diacetyl.
2001-01
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:38:15 GMT 2025
Edited
by admin
on Mon Mar 31 18:38:15 GMT 2025
Record UNII
72WY3KLB5R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 3421
Preferred Name English
2,6,6-TRIMETHYLCYCLOHEX-2-ENE-1,4-DIONE
FHFI  
Systematic Name English
2-CYCLOHEXENE-1,4-DIONE, 2,6,6-TRIMETHYL-
Systematic Name English
2,6,6-TRIMETHYLCYCLOHEX-2-ENE-1,4-DIONE [FHFI]
Common Name English
2,6,6-TRIMETHYL-2-CYCLOHEXENE-1,4-DIONE
Systematic Name English
KETOISOPHORONE
Systematic Name English
4-OXOISOPHORONE
Common Name English
Code System Code Type Description
CAS
1125-21-9
Created by admin on Mon Mar 31 18:38:15 GMT 2025 , Edited by admin on Mon Mar 31 18:38:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID9021685
Created by admin on Mon Mar 31 18:38:15 GMT 2025 , Edited by admin on Mon Mar 31 18:38:15 GMT 2025
PRIMARY
FDA UNII
72WY3KLB5R
Created by admin on Mon Mar 31 18:38:15 GMT 2025 , Edited by admin on Mon Mar 31 18:38:15 GMT 2025
PRIMARY
PUBCHEM
62374
Created by admin on Mon Mar 31 18:38:15 GMT 2025 , Edited by admin on Mon Mar 31 18:38:15 GMT 2025
PRIMARY
JECFA MONOGRAPH
1836
Created by admin on Mon Mar 31 18:38:15 GMT 2025 , Edited by admin on Mon Mar 31 18:38:15 GMT 2025
PRIMARY
ECHA (EC/EINECS)
214-406-2
Created by admin on Mon Mar 31 18:38:15 GMT 2025 , Edited by admin on Mon Mar 31 18:38:15 GMT 2025
PRIMARY