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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H8O2 Net Charge 0 Average Mass 100.11580 Monoisotopic Mass 100.05243 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 Types Sources 23677441 PubMed citation Europe PMC 24007741 PubMed citation Europe PMC 24635357 PubMed citation Europe PMC Last Modified 23 October 2015