2,3-HEXANEDIONE

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

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

Approval Year

PubMed

PubMed

Show entries

Title	Date	PubMed
Probing mechanisms of axonopathy. Part II: Protein targets of 2,5-hexanedione, the neurotoxic metabolite of the aliphatic solvent n-hexane.	2009 Feb	19033394
(R)-3-hydroxyhexan-2-one is a major pheromone component of Anelaphus inflaticollis (Coleoptera: Cerambycidae).	2009 Oct	19825301
Bioinformatic and biochemical characterization of DCXR and DHRS2/4 from Caenorhabditis elegans.	2011 May 30	21300042
S-nitrosoglutathione covalently modifies cysteine residues of human carbonyl reductase 1 and affects its activity.	2013 Feb 25	23295225
Biocatalytic production of alpha-hydroxy ketones and vicinal diols by yeast and human aldo-keto reductases.	2013 Feb 25	23295224

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Name

Type

Language

2,3-HEXANEDIONE

Systematic Name

English

NSC-31665

Preferred Name

English

2,3-HEXANEDIONE [FHFI]

Common Name

English

HEXANEDIONE, 2,3-

Systematic Name

English

HEXANE-2,3-DIONE

Systematic Name

English

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Classification Tree

Code System

Code

Subpart F--Flavoring Agents and Related Substances

CFR

21 CFR 172.515

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

2,3-HEXANEDIONE

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Code System

Code

Type

Description

CAS

3848-24-6

PRIMARY

ECHA (EC/EINECS)

223-350-8

PRIMARY

EPA CompTox

DTXSID2047066

PRIMARY

FDA UNII

559ANR3NVS

PRIMARY

PUBCHEM

19707

PRIMARY

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SUBSTANCE RECORD


					559ANR3NVS

2,3-HEXANEDIONE