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
Semiochemical strategies for sea louse control: host location cues.	2002 Jun	12138620
Identification of natural dyes used in works of art by pyrolysis-gas chromatography/mass spectrometry combined with in situ trimethylsilylation.	2005 May	15782338
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
New attractants for males of the solanaceous fruit fly Bactrocera latifrons.	2008 Dec	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 Jun	18496783

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:40:51 GMT 2023` Edited by `admin` on `Sat Dec 16 06:40:51 GMT 2023`
Record UNII	2BR99VR6WA
Record Status	`Validated (UNII)`
Record Version

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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