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CHEBI:90250 - 2-naphthyl octanoate

ChEBI IDCHEBI:90250
ChEBI Name2-naphthyl octanoate
Stars
DefinitionA octanoate ester obtained by formal condensation of the carboxy group of octanoic acid with the hydroxy group of 2-naphthol.
Last Modified6 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H22O2
Net Charge0
Average Mass270.372
Monoisotopic Mass270.16198
SMILESCCCCCCCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H22O2/c1-2-3-4-5-6-11-18(19)20-17-13-12-15-9-7-8-10-16(15)14-17/h7-10,12-14H,2-6,11H2,1H3
InChIKeyCXVZBUOSDMLXNK-UHFFFAOYSA-N
Roles Classification
Application:
chromogenic compound  Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
ChEBI Ontology
Outgoing Relation(s)
2-naphthyl octanoate (CHEBI:90250) has functional parent 2-naphthol (CHEBI:10432)
2-naphthyl octanoate (CHEBI:90250) has role chromogenic compound (CHEBI:75050)
2-naphthyl octanoate (CHEBI:90250) is a aromatic ester (CHEBI:62732)
2-naphthyl octanoate (CHEBI:90250) is a naphthalenes (CHEBI:25477)
2-naphthyl octanoate (CHEBI:90250) is a octanoate ester (CHEBI:87657)
IUPAC Name 
naphthalen-2-yl octanoate
Synonyms  Source
2-Naphthyl caprylateChemIDplus
Octanoic acid, 2-naphthalenyl esterChemIDplus
Octanoic acid, 2-naphthyl esterNIST Chemistry WebBook
Registry NumbersSources
Reaxys:2531149Reaxys
CAS:10251-17-9ChemIDplus
CAS:10251-17-9NIST Chemistry WebBook
Citations