butyl hexadecanoate (CHEBI:132549)

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ChEBI Name	butyl hexadecanoate

ChEBI ID	CHEBI:132549

Definition	A hexadecanoate ester obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of butanol.

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

Supplier Information

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Formula

C20H40O2

Net Charge

Average Mass

312.531

Monoisotopic Mass

312.30283

InChI

InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3

InChIKey

GLYJVQDYLFAUFC-UHFFFAOYSA-N

SMILES

C(CCCCCCCCCC)CCCCC(OCCCC)=O

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	See: MetaboLights Study
Caryocar brasiliense (NCBI:txid480971)	See: DOI
Ixodes scapularis (NCBI:txid6945)	See: PubMed

Roles Classification
Biological Role(s):	animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	insect repellent An insecticide that acts as a repellent to insects.

ChEBI Ontology
Outgoing	butyl hexadecanoate (CHEBI:132549) has role animal metabolite (CHEBI:75767) butyl hexadecanoate (CHEBI:132549) has role insect repellent (CHEBI:71692) butyl hexadecanoate (CHEBI:132549) has role plant metabolite (CHEBI:76924) butyl hexadecanoate (CHEBI:132549) is a hexadecanoate ester (CHEBI:25835)

IUPAC Name

butyl hexadecanoate

Synonyms	Sources
Butyl palmitate	ChemIDplus
Hexadecanoic acid, butyl ester	NIST Chemistry WebBook
n-Butyl hexadecanoate	ChemIDplus
n-Butyl palmitate	ChemIDplus
Palmitic acid, butyl ester	NIST Chemistry WebBook

Last Modified

18 January 2017