3-METHYL-2,5-HEXANEDIONE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H12O2
Molecular Weight	128.169
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYL-2,5-HEXANEDIONE

Structure Search

SMILES

CC(CC(C)=O)C(C)=O

InChI

InChIKey=NLLILAUVOOREKR-UHFFFAOYSA-N

InChI=1S/C7H12O2/c1-5(7(3)9)4-6(2)8/h5H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C7H12O2
Molecular Weight	128.169
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 `Mon Mar 31 22:01:16 GMT 2025` Edited by `admin` on `Mon Mar 31 22:01:16 GMT 2025`
Record UNII	28Z5BV9ZA2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-METHYL-2,5-HEXANEDIONE

Systematic Name

English

2,5-HEXANEDIONE,3-METHYL-2,5-HEXANEDIONE

Preferred Name

English

2,5-HEXANEDIONE, 3-METHYL-

Systematic Name

English

3-METHYLHEXANE-2,5-DIONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40871079

Created by admin on Mon Mar 31 22:01:16 GMT 2025 , Edited by admin on Mon Mar 31 22:01:16 GMT 2025

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FDA UNII

28Z5BV9ZA2

Created by admin on Mon Mar 31 22:01:16 GMT 2025 , Edited by admin on Mon Mar 31 22:01:16 GMT 2025

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PUBCHEM

107281

Created by admin on Mon Mar 31 22:01:16 GMT 2025 , Edited by admin on Mon Mar 31 22:01:16 GMT 2025

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ECHA (EC/EINECS)

224-650-1

Created by admin on Mon Mar 31 22:01:16 GMT 2025 , Edited by admin on Mon Mar 31 22:01:16 GMT 2025

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CAS

4437-50-7

Created by admin on Mon Mar 31 22:01:16 GMT 2025 , Edited by admin on Mon Mar 31 22:01:16 GMT 2025

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