3-METHYLCYCLOHEXANONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H12O
Molecular Weight	112.1696
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYLCYCLOHEXANONE

Structure Search

SMILES

CC1CCCC(=O)C1

InChI

InChIKey=UJBOOUHRTQVGRU-UHFFFAOYSA-N

InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H12O
Molecular Weight	112.1696
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:40:40 UTC 2023` Edited by `admin` on `Fri Dec 15 20:40:40 UTC 2023`
Record UNII	255L4HTY2B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-METHYLCYCLOHEXANONE

Systematic Name

English

3-METHYLCYCLOHEXANONE [FHFI]

Common Name

English

CYCLOHEXANONE, 3-METHYL- (+)

Common Name

English

(RS)-3-METHYLCYCLOHEXANONE

Systematic Name

English

FEMA NO. 3947

Code

English

(±)-3-METHYLCYCLOHEXANONE

Systematic Name

English

CYCLOHEXANONE, 3-METHYL-

Systematic Name

English

3-METHYL-1-CYCLOHEXANONE

Systematic Name

English

NSC-3709

Code

English

Classification Tree Code System Code

JECFA EVALUATION

3-METHYLCYCLOHEXANONE

Created by admin on Fri Dec 15 20:40:40 UTC 2023 , Edited by admin on Fri Dec 15 20:40:40 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID50862256

Created by admin on Fri Dec 15 20:40:40 UTC 2023 , Edited by admin on Fri Dec 15 20:40:40 UTC 2023

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JECFA MONOGRAPH

1035

Created by admin on Fri Dec 15 20:40:40 UTC 2023 , Edited by admin on Fri Dec 15 20:40:40 UTC 2023

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PUBCHEM

11567

Created by admin on Fri Dec 15 20:40:40 UTC 2023 , Edited by admin on Fri Dec 15 20:40:40 UTC 2023

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CAS

591-24-2

Created by admin on Fri Dec 15 20:40:40 UTC 2023 , Edited by admin on Fri Dec 15 20:40:40 UTC 2023

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FDA UNII

255L4HTY2B

Created by admin on Fri Dec 15 20:40:40 UTC 2023 , Edited by admin on Fri Dec 15 20:40:40 UTC 2023

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ECHA (EC/EINECS)

209-710-7

Created by admin on Fri Dec 15 20:40:40 UTC 2023 , Edited by admin on Fri Dec 15 20:40:40 UTC 2023

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NSC

3709

Created by admin on Fri Dec 15 20:40:40 UTC 2023 , Edited by admin on Fri Dec 15 20:40:40 UTC 2023

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