2,5-Hexanedione

2,5-Hexanedione is a major metabolite of the neurotoxic industrial solvent methyl n-butyl ketone. It reacts with amines to yield 2,5-dimethylpyrroles.

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Catalog Number CBB1112600
Alternative Name(s) Acetonylacetone
Molecular Formula CH3COCH2CH2COCH3
CAS# 110-13-4
Purity >98%
Inchi 1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
Inchi Key OJVAMHKKJGICOG-UHFFFAOYSA-N
SMILES CC(=O)CCC(C)=O
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