ISOPHORONE

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 Search

SMILES

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

InChI

InChIKey=HJOVHMDZYOCNQW-UHFFFAOYSA-N

InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3

HIDE SMILES / InChI

Approval Year

PubMed

Title	Date	PubMed
Semiochemical strategies for sea louse control: host location cues.	2002 Jun	12138620
Sonochemical asymmetric hydrogenation of isophorone on proline modified Pd/Al2O3 catalysts.	2004 Apr 21	15069506
Mechanism of the formation of a dehydrated ion by an unusual loss of oxygen at the 4'-carbonyl group of abscisic acid methyl ester in electron ionization mass spectrometry.	2005 Aug	15971290
[Determination of isophorone in foods].	2005 Feb	15881252
Biotransformation of racemic diisophorone by Cephalosporium aphidicola and Neurospora crassa.	2005 Jul	16132845
Antifungal activity and biotransformation of diisophorone by Botrytis cinerea.	2005 Jul 27	16028992
Non-targeted multi-component analytical surveillance of plastic food contact materials: Identification of substances not included in EU positive lists and their risk assessment.	2005 Oct	16227185
Generation of aroma compounds from Ditaxis heterantha by Saccharomyces cerevisiae.	2006 Aug	16547703
Use of SPME-GC-MS in the study of time evolution of the constituents of saffron aroma: modifications of the composition during storage.	2006 Jan	16599406
[Determination of isophorone in air in working places].	2006 Jul	16889714
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
Synthesis, characterization, shrinkage and curing kinetics of a new low-shrinkage urethane dimethacrylate monomer for dental applications.	2007 Aug	17493674
Determination of isophorone in food samples by solid-phase microextraction coupled with gas chromatography-mass spectrometry.	2007 Jun 29	17459400
Mechanistic insights into the proline-directed enantioselective heterogeneous hydrogenation of isophorone.	2007 May 22	17439253
Comparison of the volatile composition in thyme honeys from several origins in Greece.	2007 Oct 3	17824662
Model of drug-loaded fluorocarbon-based micelles studied by electron-spin induced (19)f relaxation NMR and molecular dynamics simulation.	2008 Feb 5	18052082
Quality and functionality of saffron: quality control, species assortment and affinity of extract and isolated saffron compounds to NMDA and sigma1 (sigma-1) receptors.	2008 Jun	18496783
Heterogeneously catalyzed asymmetric hydrogenation of C=C bonds directed by surface-tethered chiral modifiers.	2009 Oct 14	19754049
Influences of hydraulic loading rate on SVOC removal and microbial community structure in drinking water treatment biofilters.	2010 Jun 15	20189298

Patents

Name

Type

Language

ISOPHORONE

Systematic Name

English

ISOPHORON

Common Name

English

NSC-403657

Code

English

ISOPHORONE [HSDB]

Common Name

English

1,5,5-TRIMETHYL-3-OXOCYCLOHEXENE

Systematic Name

English

2-CYCLOHEXEN-1-ONE, 3,5,5-TRIMETHYL-

Systematic Name

English

ISOACETOPHORON

Common Name

English

1,3,3-TRIMETHYLCYLOHEXEN-5-ONE

Common Name

English

FEMA NO. 3553

Code

English

.ALPHA.-ISOPHORON

Common Name

English

ISOPHORONE [FHFI]

Common Name

English

3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE

Systematic Name

English

.ALPHA.-ISOPHORONE

Common Name

English

ISOPHORONE [MI]

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

47401