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> Main
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.
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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
100.05243
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
CH
3
‒CO‒CH
2
‒CO‒CH
3
IUPAC
Hacac
IUPAC
pentan-2,4-dione
NIST Chemistry WebBook
Manual Xrefs
Databases
Acetylacetone
Wikipedia
C15499
KEGG COMPOUND
CPD-8879
MetaCyc
HMDB0031648
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
Citation
Type
Source
24445259
PubMed citation
Europe PMC
Last Modified
12 August 2015