CHEBI:14750 - acetylacetone

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ChEBI Name acetylacetone
ChEBI ID CHEBI:14750
Definition A β-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C5H8O2
Net Charge 0
Average Mass 100.11582
Monoisotopic Mass 100.052
InChI InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N
SMILES CC(=O)CC(C)=O
ChEBI Ontology
Outgoing acetylacetone (CHEBI:14750) is a β-diketone (CHEBI:67265)
acetylacetone (CHEBI:14750) is conjugate acid of acetylacetonate (CHEBI:30395)
Incoming acetylacetonate (CHEBI:30395) is conjugate base of acetylacetone (CHEBI:14750)
IUPAC Name
pentane-2,4-dione
Synonyms Sources
2,4-dioxopentane ChemIDplus
2,4-Dioxopentane KEGG COMPOUND
2,4-pentadione NIST Chemistry WebBook
2,4-pentanedione ChemIDplus
ACAC NIST Chemistry WebBook
acetoacetone ChemIDplus
acetyl 2-propanone ChemIDplus
acetylacetone IUPAC
acetylacetone UniProt
Acetylacetone KEGG COMPOUND
CH3‒CO‒CH2‒CO‒CH3 IUPAC
Hacac IUPAC
pentan-2,4-dione NIST Chemistry WebBook
Database Links Databases
Acetylacetone Wikipedia
C15499 KEGG COMPOUND
CPD-8879 MetaCyc
HMDB31648 HMDB
View more database links
Registry Numbers Types Sources
123-54-6 CAS Registry Number ChemIDplus
123-54-6 CAS Registry Number NIST Chemistry WebBook
2537 Gmelin Registry Number Gmelin
741937 Reaxys Registry Number Reaxys
741937 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
24445259 PubMed citation Europe PMC
Last Modified
12 August 2015