CHEBI:52774 - pentane-2,3-dione

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ChEBI Name pentane-2,3-dione
ChEBI ID CHEBI:52774
Definition An α-diketone that is pentane substituted at the 2- and 3-positions by oxo groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H8O2
Net Charge 0
Average Mass 100.11580
Monoisotopic Mass 100.052
InChI InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3
InChIKey TZMFJUDUGYTVRY-UHFFFAOYSA-N
SMILES CCC(=O)C(C)=O
Roles Classification
Biological Role(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pentane-2,3-dione (CHEBI:52774) has parent hydride pentane (CHEBI:37830)
pentane-2,3-dione (CHEBI:52774) has role flavouring agent (CHEBI:35617)
pentane-2,3-dione (CHEBI:52774) is a α-diketone (CHEBI:51869)
pentane-2,3-dione (CHEBI:52774) is a methyl ketone (CHEBI:51867)
IUPAC Name
pentane-2,3-dione
Synonyms Sources
2,3-Pentanedione ChemIDplus
Acetyl propionyl ChemIDplus
Acetylpropionyl ChemIDplus
ethyl methyl diketone ChEBI
Manual Xref Database
HMDB0031598 HMDB
View more database links
Registry Numbers Types Sources
1699638 Reaxys Registry Number Reaxys
1699638 Beilstein Registry Number Beilstein
600-14-6 CAS Registry Number NIST Chemistry WebBook
600-14-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23677441 PubMed citation Europe PMC
24007741 PubMed citation Europe PMC
24635357 PubMed citation Europe PMC
Last Modified
23 October 2015