pentyl octanoate (CHEBI:165637)

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ChEBI Name	pentyl octanoate

ChEBI ID	CHEBI:165637

Definition	An octanoate ester obtained by the formal condensation of carboxy group of octanoic acid with pentan-1-ol.

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H26O2

Net Charge

Average Mass

214.349

Monoisotopic Mass

214.19328

InChI

InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3

InChIKey

GJWGZSBNFSBUPX-UHFFFAOYSA-N

SMILES

CCCCCCCC(=O)OCCCCC

Metabolite of Species	Details
Corylus avellana (NCBI:txid13451)	See: PubMed
Mangifera indica (NCBI:txid29780)	of strain Magnifera Indica cv. Harumanis See: PubMed
Iris germanica (NCBI:txid34205)	See: PubMed
Camellia oleifera (NCBI:txid385388)	Found in seed (BTO:0001226). 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.

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

ChEBI Ontology
Outgoing	pentyl octanoate (CHEBI:165637) has functional parent pentan-1-ol (CHEBI:44884) pentyl octanoate (CHEBI:165637) has role flavouring agent (CHEBI:35617) pentyl octanoate (CHEBI:165637) has role plant metabolite (CHEBI:76924) pentyl octanoate (CHEBI:165637) is a octanoate ester (CHEBI:87657)

IUPAC Name

pentyl octanoate

Last Modified

13 May 2022