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CHEBI:137426 - dehydroacetic acid

ChEBI IDCHEBI:137426
ChEBI Namedehydroacetic acid
Stars
DefinitionA 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.
Last Modified23 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESCC(=O)C1C(=O)C=C(C)OC1=O
InChIInChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
InChIKeyPGRHXDWITVMQBC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
fungicide  A substance used to destroy fungal pests.
Applications:
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.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Biocide 470FChemIDplus
MethylacetopyrononeChemIDplus
Manual XrefsDatabases
Dehydroacetic_acidWikipedia
US3849579Patent
AU2004287448Patent
Registry NumbersSources
CAS:520-45-6ChemIDplus
Citations