CHEBI:188346 - pentyl dodecanoate

ChEBI IDCHEBI:188346
ChEBI Namepentyl dodecanoate
Stars
DefinitionA dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of pentan-1-ol.
Last Modified5 May 2022
Submitterbroose.reactome@gmail.com
DownloadsMolfile
FormulaC17H34O2
Net Charge0
Average Mass270.457
Monoisotopic Mass270.25588
SMILESCCCCCCCCCCCC(=O)OCCCCC
InChIInChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-12-13-15-17(18)19-16-14-6-4-2/h3-16H2,1-2H3
InChIKeyPQWBDPUBNMEITD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Anaulaciulus (ncbitaxon:1008834) - DOI (10.1007/s10886-012-0063-4)
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to 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)
pentyl dodecanoate (CHEBI:188346) has functional parent pentan-1-ol (CHEBI:44884)
pentyl dodecanoate (CHEBI:188346) has role animal metabolite (CHEBI:75767)
pentyl dodecanoate (CHEBI:188346) has role flavouring agent (CHEBI:35617)
pentyl dodecanoate (CHEBI:188346) is a dodecanoate ester (CHEBI:87659)
IUPAC Name 
pentyl dodecanoate
Synonyms  Source
amyl laurateChemIDplus
pentyl laurateChemIDplus
lauric acid pentyl esterChemIDplus
dodecanoic acid pentyl esterChemIDplus
n-amyl laurateChEBI
lauric acid n-amyl esterChEBI
Manual XrefsDatabases
56333ChemSpider
Registry NumbersSources
Reaxys:1780943Reaxys
CAS:5350-03-8ChemIDplus
Citations