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CHEBI:90150 - 2-naphthyl butyrate

ChEBI IDCHEBI:90150
ChEBI Name2-naphthyl butyrate
Stars
DefinitionA butyrate ester obtained by formal condensation of the carboxy group of butyric acid with the hydroxy group of 2-naphthol.
Last Modified30 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H14O2
Net Charge0
Average Mass214.264
Monoisotopic Mass214.09938
SMILESCCCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C14H14O2/c1-2-5-14(15)16-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3
InChIKeyKCWQXDQUKLJUEU-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 butyrate (CHEBI:90150) has functional parent 2-naphthol (CHEBI:10432)
2-naphthyl butyrate (CHEBI:90150) has role chromogenic compound (CHEBI:75050)
2-naphthyl butyrate (CHEBI:90150) is a aromatic ester (CHEBI:62732)
2-naphthyl butyrate (CHEBI:90150) is a butyrate ester (CHEBI:50477)
2-naphthyl butyrate (CHEBI:90150) is a naphthalenes (CHEBI:25477)
IUPAC Name 
naphthalen-2-yl butanoate
Synonyms  Source
2-naphthyl butanoateChEBI
β-naphthyl butanoateChEBI
β-naphthyl butyrateChEBI
Registry NumbersSources
Reaxys:1959754Reaxys