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

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

Show entries

Title	Date	PubMed
Thresholds of carcinogenicity of flavors.	2002 Aug	12151622
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

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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

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Classification Tree

Code System

Code

EPA PESTICIDE

EPA PESTICIDE CODE

47401

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

ISOPHORONE

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Code System

Code

Type

Description

CHEBI

34800

PRIMARY

CAS

78-59-1

PRIMARY

WIKIPEDIA

ISOPHORONE

PRIMARY

MESH

C005940

PRIMARY

MERCK INDEX

m6512

PRIMARY

Merck Index

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SUBSTANCE RECORD


					2BR99VR6WA

ISOPHORONE

SMILES

InChI

Approval Year

PubMed

Patents