CHEBI:137426 - dehydroacetic acid

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ChEBI Name dehydroacetic acid
ChEBI ID CHEBI:137426
Definition A pyran-2,4-dione substituted at position 3 by an acetyl group and at position 6 by a methyl group. A fungicide and bactericide it is used primarily in processed fruit and vegetables.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H8O4
Net Charge 0
Average Mass 168.147
Monoisotopic Mass 168.04226
InChI InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
InChIKey PGRHXDWITVMQBC-UHFFFAOYSA-N
SMILES C1(C(C(C=C(O1)C)=O)C(=O)C)=O
Roles Classification
Biological Role(s): fungicide
A substance used to destroy fungal pests.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
Application(s): fungicide
A substance used to destroy fungal pests.
plasticiser
Any compound that is used as an additive to increase the plasticity or fluidity of a substance, particularly but not exclusively to synthetic polymers.
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ChEBI Ontology
Outgoing dehydroacetic acid (CHEBI:137426) has role antibacterial agent (CHEBI:33282)
dehydroacetic acid (CHEBI:137426) has role fungicide (CHEBI:24127)
dehydroacetic acid (CHEBI:137426) has role plasticiser (CHEBI:79056)
dehydroacetic acid (CHEBI:137426) is a ketone (CHEBI:17087)
dehydroacetic acid (CHEBI:137426) is a pyran-2,4-dione (CHEBI:137428)
IUPAC Name
3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione
Synonyms Sources
Biocide 470F ChemIDplus
Methylacetopyronone ChemIDplus
Manual Xrefs Databases
AU2004287448 Patent
Dehydroacetic_acid
Note: (2017-06-14) The diagram shows the 3-acetyl-2-hydroxy-6-methyl-4H-pyran-4-one tautomer.
 Wikipedia
US3849579 Patent
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Registry Number Type Source
520-45-6
Note: (2017-06-14) The diagram shows the 3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one tautomer.
 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18960990 PubMed citation Europe PMC
23790920 PubMed citation Europe PMC
25813167 PubMed citation Europe PMC
28166217 PubMed citation Europe PMC
4030634 PubMed citation Europe PMC
6885696 PubMed citation Europe PMC
IND87014549 Agricola citation Europe PMC
Last Modified
23 January 2019