4-METHYL-2-HEXANONE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H14O
Molecular Weight	114.1855
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-METHYL-2-HEXANONE

Structure Search

SMILES

CCC(C)CC(C)=O

InChI

InChIKey=XUPXMIAWKPTZLZ-UHFFFAOYSA-N

InChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C7H14O
Molecular Weight	114.1855
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 `Tue Apr 01 19:34:40 GMT 2025` Edited by `admin` on `Tue Apr 01 19:34:40 GMT 2025`
Record UNII	91FRP8DB78
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-METHYL-2-HEXANONE

Systematic Name

English

NSC-128218

Preferred Name

English

METHYL 2-METHYLBUTYL KETONE

Common Name

English

2-HEXANONE, 4-METHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

91FRP8DB78

Created by admin on Tue Apr 01 19:34:40 GMT 2025 , Edited by admin on Tue Apr 01 19:34:40 GMT 2025

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CAS

105-42-0

Created by admin on Tue Apr 01 19:34:40 GMT 2025 , Edited by admin on Tue Apr 01 19:34:40 GMT 2025

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NSC

128218

Created by admin on Tue Apr 01 19:34:40 GMT 2025 , Edited by admin on Tue Apr 01 19:34:40 GMT 2025

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EPA CompTox

DTXSID60870448

Created by admin on Tue Apr 01 19:34:40 GMT 2025 , Edited by admin on Tue Apr 01 19:34:40 GMT 2025

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PUBCHEM

7754

Created by admin on Tue Apr 01 19:34:40 GMT 2025 , Edited by admin on Tue Apr 01 19:34:40 GMT 2025

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