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2,5-hexanedione

Go to external page http://purl.obolibrary.org/obo/CHEBI_85014

A diketone that is hexane substituted by oxo groups at positions 2 and 5. It is a toxic metabolite of hexane and of 2-hexanone

Term info

Label

2,5-hexanedione

Synonyms
  • hexane-2,5-dione
database cross reference
Subsets

3_STAR

IUPAC NAME
hexane-2,5-dione [ IUPAC ]

charge

0

formula

C6H10O2

has obo namespace

chebi_ontology

has related synonym

hexane-2,5-dione, NSC 7621, 2,5-Hexadione, 1,2-Diacetylethane, Acetonyl acetone, alpha,beta-diacetylethane, acetonylacetone, 2,5-Diketohexane, CH3COCH2CH2COCH3, alpha,beta-Diacetylethane

id

CHEBI:85014

inchi

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

inchikey

OJVAMHKKJGICOG-UHFFFAOYSA-N

mass

114.14240

monoisotopicmass

114.06808

smiles

CC(=O)CCC(C)=O