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

Molecular Formula	C9H14O
Molecular Weight	138.2069
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Influences of hydraulic loading rate on SVOC removal and microbial community structure in drinking water treatment biofilters.	2010-06-15	20189298
Heterogeneously catalyzed asymmetric hydrogenation of C=C bonds directed by surface-tethered chiral modifiers.	2009-10-14	19754049
[Determination of nitroaromatics and cyclo ketones in sea water' by gas chromatography coupled with activated carbon fiber solid-phase micro-extraction].	2009-05	19803142
[Determination of isophorone in air of work places with thermal desorption-gas chromatography].	2009-05	19538847
Conveniently synthesized isophorone dyes for high efficiency dye-sensitized solar cells: tuning photovoltaic performance by structural modification of donor group in donor-pi-acceptor system.	2009-04-07	19294289
New attractants for males of the solanaceous fruit fly Bactrocera latifrons.	2008-12	19018595
Quality and functionality of saffron: quality control, species assortment and affinity of extract and isolated saffron compounds to NMDA and sigma1 (sigma-1) receptors.	2008-06	18496783
Model of drug-loaded fluorocarbon-based micelles studied by electron-spin induced (19)f relaxation NMR and molecular dynamics simulation.	2008-02-05	18052082
Comparison of the volatile composition in thyme honeys from several origins in Greece.	2007-10-03	17824662
Synthesis, characterization, shrinkage and curing kinetics of a new low-shrinkage urethane dimethacrylate monomer for dental applications.	2007-08	17493674
Determination of isophorone in food samples by solid-phase microextraction coupled with gas chromatography-mass spectrometry.	2007-06-29	17459400
Mechanistic insights into the proline-directed enantioselective heterogeneous hydrogenation of isophorone.	2007-05-22	17439253
Solid-state linear-dichroic IR-spectroscopy of isophorone derivatives with potential non-linear optical application.	2006-12	16824790
[Study of pyrolysates of beta-carotene in tobacco].	2006-11	17288145
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524
Generation of saffron volatiles by thermal carotenoid degradation.	2006-09-06	16939346
Syntheses and odor of "bulky group"-modified sandalwood odorants: isophorono-beta-santalol analogues.	2006-08	16647162
Generation of aroma compounds from Ditaxis heterantha by Saccharomyces cerevisiae.	2006-08	16547703
[Determination of isophorone in air in working places].	2006-07	16889714
NMAM methods update: a laboratory response to concerns about technologically outdated and problematic methods.	2006-07	16835165
Heterogeneously catalyzed asymmetric C=C hydrogenation: origin of enantioselectivity in the proline-directed Pd/isophorone system.	2006-06-07	16734488
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	16599406
Non-targeted multi-component analytical surveillance of plastic food contact materials: Identification of substances not included in EU positive lists and their risk assessment.	2005-10	16227185
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.	2005-08	15971290
Antifungal activity and biotransformation of diisophorone by Botrytis cinerea.	2005-07-27	16028992
Biotransformation of racemic diisophorone by Cephalosporium aphidicola and Neurospora crassa.	2005-07	16132845
Identification of natural dyes used in works of art by pyrolysis-gas chromatography/mass spectrometry combined with in situ trimethylsilylation.	2005-05	15782338
[Determination of isophorone in foods].	2005-02	15881252
Sonochemical asymmetric hydrogenation of isophorone on proline modified Pd/Al2O3 catalysts.	2004-04-21	15069506
Old Yellow Enzyme from Candida macedoniensis catalyzes the stereospecific reduction of the C=C bond of ketoisophorone.	2002-12	12596862
Thresholds of carcinogenicity of flavors.	2002-08	12151622
Semiochemical strategies for sea louse control: host location cues.	2002-06	12138620
Persistent organic pollutants (POPs) in surface sediments of Donghu Lake, Wuhan, Hubei, China.	2002	12046650
NCI-Black-Reiter (NBR) male rats fail to develop renal disease following exposure to agents that induce alpha-2u-globulin (alpha 2u) nephropathy.	1991-05	1715830

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:37:10 GMT 2025` Edited by `admin` on `Mon Mar 31 21:37:10 GMT 2025`
Record UNII	2BR99VR6WA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEMA NO. 3553

Preferred Name

English

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

.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