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CHEBI:91120 - 4-methylumbelliferyl butyate

ChEBI IDCHEBI:91120
ChEBI Name4-methylumbelliferyl butyate
Stars
DefinitionA member of the class of coumarins that is 4-methylumbelliferone in which the hydroxyl hydrogen is replaced by a butyryl group.
Last Modified5 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC14H14O4
Net Charge0
Average Mass246.262
Monoisotopic Mass246.08921
SMILESCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C14H14O4/c1-3-4-13(15)17-10-5-6-11-9(2)7-14(16)18-12(11)8-10/h5-8H,3-4H2,1-2H3
InChIKeyWKPUJZVCZXWKCK-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)
4-methylumbelliferyl butyate (CHEBI:91120) has functional parent 4-methylumbelliferone (CHEBI:17224)
4-methylumbelliferyl butyate (CHEBI:91120) has role chromogenic compound (CHEBI:75050)
4-methylumbelliferyl butyate (CHEBI:91120) is a butyrate ester (CHEBI:50477)
4-methylumbelliferyl butyate (CHEBI:91120) is a coumarins (CHEBI:23403)
IUPAC Name 
4-methyl-2-oxo-2H-1-benzopyran-7-yl butanoate
Synonyms  Source
4-methylumbelliferyl butanoateChEBI
4-Methylcoumarin-7-yl butyrateChemIDplus
4-Methyl-2-oxo-2H-1-benzopyran-7-yl butyrateChemIDplus
Butyryl 4-methylumbelliferoneChemIDplus
Butanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl esterChemIDplus
4-Methylumbelliferone butyrateChemIDplus
Registry NumbersSources
Reaxys:227973Reaxys
CAS:17695-46-4ChemIDplus
Citations