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CHEBI:143015 - isooctyl laurate

ChEBI IDCHEBI:143015
ChEBI Nameisooctyl laurate
Stars
DefinitionA dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of 6-methylheptan-1-ol.
Last Modified7 February 2019
Submittermwilliams
DownloadsMolfile
FormulaC20H40O2
Net Charge0
Average Mass312.538
Monoisotopic Mass312.30283
SMILESCCCCCCCCCCCC(=O)OCCCCCC(C)C
InChIInChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-14-17-20(21)22-18-15-12-13-16-19(2)3/h19H,4-18H2,1-3H3
InChIKeyUNOGLHIYPXTOGD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isooctyl laurate (CHEBI:143015) has functional parent 6-methylheptan-1-ol (CHEBI:44009)
isooctyl laurate (CHEBI:143015) is a dodecanoate ester (CHEBI:87659)
IUPAC Names 
6-methylheptyl laurate
6-methylheptyl dodecanoate
Registry NumbersSources
CAS:84713-06-4ChemIDplus