2,4-hexadienyl acetate (CHEBI:191490)

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ChEBI Name	2,4-hexadienyl acetate

ChEBI ID	CHEBI:191490

Definition	An acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of hexa-2,4-dien-1-ol.

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H12O2

Net Charge

Average Mass

140.182

Monoisotopic Mass

140.08373

InChI

InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3

InChIKey

PXVKYPFROMBALG-UHFFFAOYSA-N

SMILES

[H]C(C)=CC([H])=CCOC(C)=O

Metabolite of Species	Details
Solanum tuberosum (NCBI:txid4113)	Found in leaf (BTO:0000713). See: MetaboLights Study

Roles Classification
Biological Role(s):	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.

ChEBI Ontology
Outgoing	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	(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

Registry Number	Type	Source
1516-17-2	CAS Registry Number	PubChem

Last Modified

22 March 2023