2,3-HEXANEDIONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H10O2
Molecular Weight	114.1424
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,3-HEXANEDIONE

Structure Search

SMILES

CCCC(=O)C(C)=O

InChI

InChIKey=MWVFCEVNXHTDNF-UHFFFAOYSA-N

InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C6H10O2
Molecular Weight	114.1424
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Stereoselective oxidation of aliphatic diols and reduction of hydroxy-ketones with galactitol dehydrogenase from Rhodobacter sphaeroides D.	2003	15296184
Characterization of an oligomeric carbonyl reductase of dog liver: its identity with peroxisomal tetrameric carbonyl reductase.	2007 Sep	17827741
Characterization of a rat NADPH-dependent aldo-keto reductase (AKR1B13) induced by oxidative stress.	2009 Mar 16	18845131
Curcumin is a tight-binding inhibitor of the most efficient human daunorubicin reductase--Carbonyl reductase 1.	2015 Jun 5	25541467

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:10:15 GMT 2023` Edited by `admin` on `Fri Dec 15 18:10:15 GMT 2023`
Record UNII	559ANR3NVS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,3-HEXANEDIONE

Systematic Name

English

2,3-HEXANEDIONE [FHFI]

Common Name

English

HEXANEDIONE, 2,3-

Systematic Name

English

HEXANE-2,3-DIONE

Systematic Name

English

FEMA NO. 2558

Code

English

ACETYLBUTYRYL

Common Name

English

ACETYL BUTYRYL

Common Name

English

NSC-31665

Code

English

Classification Tree Code System Code

CFR

21 CFR 172.515

Created by admin on Fri Dec 15 18:10:15 GMT 2023 , Edited by admin on Fri Dec 15 18:10:15 GMT 2023

JECFA EVALUATION

2,3-HEXANEDIONE

Created by admin on Fri Dec 15 18:10:15 GMT 2023 , Edited by admin on Fri Dec 15 18:10:15 GMT 2023

Code System Code Type Description

CAS

3848-24-6

Created by admin on Fri Dec 15 18:10:15 GMT 2023 , Edited by admin on Fri Dec 15 18:10:15 GMT 2023

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ECHA (EC/EINECS)

223-350-8

Created by admin on Fri Dec 15 18:10:15 GMT 2023 , Edited by admin on Fri Dec 15 18:10:15 GMT 2023

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EPA CompTox

DTXSID2047066

Created by admin on Fri Dec 15 18:10:15 GMT 2023 , Edited by admin on Fri Dec 15 18:10:15 GMT 2023

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FDA UNII

559ANR3NVS

Created by admin on Fri Dec 15 18:10:15 GMT 2023 , Edited by admin on Fri Dec 15 18:10:15 GMT 2023

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PUBCHEM

19707

Created by admin on Fri Dec 15 18:10:15 GMT 2023 , Edited by admin on Fri Dec 15 18:10:15 GMT 2023

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CHEBI

87583

Created by admin on Fri Dec 15 18:10:15 GMT 2023 , Edited by admin on Fri Dec 15 18:10:15 GMT 2023

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NSC

31665

Created by admin on Fri Dec 15 18:10:15 GMT 2023 , Edited by admin on Fri Dec 15 18:10:15 GMT 2023

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MESH

C043231

Created by admin on Fri Dec 15 18:10:15 GMT 2023 , Edited by admin on Fri Dec 15 18:10:15 GMT 2023

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JECFA MONOGRAPH

93

Created by admin on Fri Dec 15 18:10:15 GMT 2023 , Edited by admin on Fri Dec 15 18:10:15 GMT 2023

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