3-acetyl-2,5-dimethylfuran (CHEBI:167367)

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ChEBI Name	3-acetyl-2,5-dimethylfuran

ChEBI ID	CHEBI:167367

Definition	A member of the class of furans that is furan substituted by methyl, acetyl and methyl groups at positions 2, 3 and 5, respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H10O2

Net Charge

Average Mass

138.166

Monoisotopic Mass

138.06808

InChI

InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3

InChIKey

KBSVBCHYXYXDAG-UHFFFAOYSA-N

SMILES

CC(=O)C1=C(C)OC(C)=C1

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	See: PubMed

Roles Classification
Biological Role(s):	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. mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	3-acetyl-2,5-dimethylfuran (CHEBI:167367) has role flavouring agent (CHEBI:35617) 3-acetyl-2,5-dimethylfuran (CHEBI:167367) has role mutagen (CHEBI:25435) 3-acetyl-2,5-dimethylfuran (CHEBI:167367) has role plant metabolite (CHEBI:76924) 3-acetyl-2,5-dimethylfuran (CHEBI:167367) is a aromatic ketone (CHEBI:76224) 3-acetyl-2,5-dimethylfuran (CHEBI:167367) is a furans (CHEBI:24129) 3-acetyl-2,5-dimethylfuran (CHEBI:167367) is a methyl ketone (CHEBI:51867)

IUPAC Name

1-(2,5-dimethylfuran-3-yl)ethanone

Synonyms	Sources
1-(2,5-dimethyl-3-furanyl)ethanone	ChemIDplus
1-(2,5-dimethyl-3-furyl)ethan-1-one	NIST Chemistry WebBook
1-(2,5-dimethyl-3-furyl)ethanone	NIST Chemistry WebBook
1-(2,5-dimethylfuran-3-yl)ethan-1-one	IUPAC
2,5-dimethyl-3-acetylfuran	ChemIDplus
2,5-dimethyl-3-furyl methyl ketone	ChemIDplus
FEMA 3391	HMDB

Last Modified

18 June 2021