CHEBI:89526 - 2,4-dimethylfuran

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ChEBI Name 2,4-dimethylfuran
ChEBI ID CHEBI:89526
Definition A member of the class of furans that is furan in which the hydrogens at positions 2 and 4 are replaced by methyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H8O
Net Charge 0
Average Mass 96.129
Monoisotopic Mass 96.05751
InChI InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKey AABTWRKUKUPMJG-UHFFFAOYSA-N
SMILES CC1=CC(C)=CO1
Metabolite of Species Details
Olea europaea (NCBI:txid4146) See: DOI
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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 2,4-dimethylfuran (CHEBI:89526) has role flavouring agent (CHEBI:35617)
2,4-dimethylfuran (CHEBI:89526) has role human metabolite (CHEBI:77746)
2,4-dimethylfuran (CHEBI:89526) has role plant metabolite (CHEBI:76924)
2,4-dimethylfuran (CHEBI:89526) is a furans (CHEBI:24129)
IUPAC Name
2,4-dimethylfuran
Synonym Source
2,4-dimethyl-furan HMDB
Manual Xrefs Databases
18339 ChemSpider
FDB010951 FooDB
HMDB0032965 HMDB
View more database links
Registry Numbers Types Sources
3710-43-8 CAS Registry Number NIST Chemistry WebBook
3710-43-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15999184 PubMed citation Europe PMC
22064148 PubMed citation Europe PMC
23393625 PubMed citation Europe PMC
24421258 PubMed citation Europe PMC
IND44632293 Agricola citation Europe PMC
Last Modified
17 June 2021