CHEBI:87592 - 2-octylfuran

ChEBI IDCHEBI:87592
ChEBI Name2-octylfuran
Stars
DefinitionA member of the class of furans that is furan substituted by an octyl group at position 2.
Last Modified18 June 2021
Submitternamrata
DownloadsMolfile
FormulaC12H20O
Net Charge0
Average Mass180.291
Monoisotopic Mass180.15142
SMILESCCCCCCCCc1ccco1
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h8,10-11H,2-7,9H2,1H3
InChIKeyRADIRWIUSSENFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Starmerella bacillaris (ncbitaxon:1247836) - MetaboLights (MTBLS212) From MetaboLights
Vitis vinifera (ncbitaxon:29760) - MetaboLights (MTBLS212) From MetaboLights
Bos taurus (ncbitaxon:9913) - PubMed (31304475)
Roles Classification
Chemical Role:
Maillard reaction product  Any thermal degradation product obtained as a result of a chemical reaction between an amino acid and a reducing sugar (Maillard reaction, a non-enzymatic browning procedure that usually imparts flavour to starch-based food products).
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.
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
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-octylfuran (CHEBI:87592) has role flavouring agent (CHEBI:35617)
2-octylfuran (CHEBI:87592) has role Maillard reaction product (CHEBI:77523)
2-octylfuran (CHEBI:87592) has role mammalian metabolite (CHEBI:75768)
2-octylfuran (CHEBI:87592) has role plant metabolite (CHEBI:76924)
2-octylfuran (CHEBI:87592) is a furans (CHEBI:24129)
IUPAC Name 
2-octylfuran
Synonyms  Source
2-n-octylfuranNIST Chemistry WebBook
2-octyl-furanChEBI
Registry NumbersSources
Reaxys:1238030Reaxys
CAS:4179-38-8ChemIDplus
CAS:4179-38-8NIST Chemistry WebBook
Citations