CHEBI:90250 - 2-naphthyl octanoate

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ChEBI Name 2-naphthyl octanoate
ChEBI ID CHEBI:90250
Definition A octanoate ester obtained by formal condensation of the carboxy group of octanoic acid with the hydroxy group of 2-naphthol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H22O2
Net Charge 0
Average Mass 270.367
Monoisotopic Mass 270.16198
InChI InChI=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
InChIKey CXVZBUOSDMLXNK-UHFFFAOYSA-N
SMILES O(C(CCCCCCC)=O)C=1C=C2C=CC=CC2=CC1
Roles Classification
Application(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
2-Naphthyl caprylate ChemIDplus
Octanoic acid, 2-naphthalenyl ester ChemIDplus
Octanoic acid, 2-naphthyl ester NIST Chemistry WebBook
Registry Numbers Types Sources
10251-17-9 CAS Registry Number NIST Chemistry WebBook
10251-17-9 CAS Registry Number ChemIDplus
2531149 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
3082952 PubMed citation Europe PMC
3088074 PubMed citation Europe PMC
Last Modified
06 November 2015