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CHEBI:167764 - 2-methyl-5-propionylfuran

ChEBI IDCHEBI:167764
ChEBI Name2-methyl-5-propionylfuran
Stars
DefinitionA member of the class of furans that is furan substituted by propionyl and methyl groups at positions 2 and 5, respectively. It is a flavouring agent found in sesame seed oil and coffee.
Last Modified18 June 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10O2
Net Charge0
Average Mass138.166
Monoisotopic Mass138.06808
SMILESCCC(=O)c1ccc(C)o1
InChIInChI=1S/C8H10O2/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3
InChIKeyBXLPZYAVKVFXEO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
2-methyl-5-propionylfuran (CHEBI:167764) has role flavouring agent (CHEBI:35617)
2-methyl-5-propionylfuran (CHEBI:167764) has role human metabolite (CHEBI:77746)
2-methyl-5-propionylfuran (CHEBI:167764) has role plant metabolite (CHEBI:76924)
2-methyl-5-propionylfuran (CHEBI:167764) is a aromatic ketone (CHEBI:76224)
2-methyl-5-propionylfuran (CHEBI:167764) is a furans (CHEBI:24129)
IUPAC Name 
1-(5-methylfuran-2-yl)propan-1-one
Synonyms  Source
1-(5-methyl-2-furyl)propan-1-oneChemIDplus
2-methyl-5-propionyl-furanChEBI
1-(5-methyl-2-furyl)-1-propanoneNIST Chemistry WebBook
1-(5-methyl-2-furanyl)-1-propanoneNIST Chemistry WebBook
5-methyl-2-propionylfuranNIST Chemistry WebBook
Manual XrefsDatabases
74682ChemSpider
Registry NumbersSources
Reaxys:113098Reaxys
CAS:10599-69-6ChemIDplus
CAS:10599-69-6NIST Chemistry WebBook
Citations