EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191490 - 2,4-hexadienyl acetate

ChEBI IDCHEBI:191490
ChEBI Name2,4-hexadienyl acetate
Stars
DefinitionAn acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of hexa-2,4-dien-1-ol.
Last Modified22 March 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O2
Net Charge0
Average Mass140.182
Monoisotopic Mass140.08373
SMILES[H]C(C)=CC([H])=CCOC(C)=O
InChIInChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3
InChIKeyPXVKYPFROMBALG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
Roles Classification
Biological Roles:
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:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
2,4-hexadienyl acetate (CHEBI:191490) has role flavouring agent (CHEBI:35617)
2,4-hexadienyl acetate (CHEBI:191490) has role plant metabolite (CHEBI:76924)
2,4-hexadienyl acetate (CHEBI:191490) is a acetate ester (CHEBI:47622)
2,4-hexadienyl acetate (CHEBI:191490) is a olefinic compound (CHEBI:78840)
Incoming Relation(s)
(E,E)-2,4-hexadienyl acetate (CHEBI:194509) is a 2,4-hexadienyl acetate (CHEBI:191490)
IUPAC Name 
hexa-2,4-dien-1-yl acetate
Synonyms  Source
2,4-hexadien-1-yl acetateChEBI
1-acetoxy-2,4-hexadieneChEBI
2,4-hexadien-1-ol acetateChEBI
2,4-hexadien-1-ol, acetateChEBI
2,4-hexadien-1-ol, 1-acetateChEBI
2,4-hexadien-1-ol 1-acetateChEBI
Manual XrefsDatabases
HMDB0032311HMDB
14462ChemSpider
Registry NumbersSources
CAS:1516-17-2PubChem Compound