ISOPHORONE

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National Institutes of Health Divider Arrow

NCATS

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 of ISOPHORONE

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

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

Download

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

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

JECFA EVALUATION

ISOPHORONE

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

Code System Code Type Description

CHEBI

34800

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

PRIMARY

CAS

78-59-1

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

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WIKIPEDIA

ISOPHORONE

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

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MESH

C005940

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

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MERCK INDEX

m6512

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

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Merck Index

HSDB

619

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

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EPA CompTox

DTXSID8020759

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

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NSC

403657

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

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PUBCHEM

6544

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

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ECHA (EC/EINECS)

201-126-0

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

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FDA UNII

2BR99VR6WA

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

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JECFA MONOGRAPH

1044

Created by admin on Sat Dec 16 06:40:51 UTC 2023 , Edited by admin on Sat Dec 16 06:40:51 UTC 2023

PRIMARY