ISOPHORONE

U.S. Department of Health & Human Services Divider Arrow

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

Approval Year

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

PRIMARY

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

PRIMARY

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

PRIMARY

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

PRIMARY

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

PRIMARY

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

PRIMARY

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

PRIMARY

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

PRIMARY

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

PRIMARY

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

PRIMARY

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

SUBSTANCE RECORD


					2BR99VR6WA