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CHEBI:143870 - ethyl vanillin isobutyrate

ChEBI IDCHEBI:143870
ChEBI Nameethyl vanillin isobutyrate
Stars
DefinitionA member of the class of benzaldehydes that is benzaldehyde substituted by an ethoxy group at position 3 and by a (2-methylpropanoyl)oxy group at position 4.
Last Modified11 June 2019
Submittermwilliams
DownloadsMolfile
FormulaC13H16O4
Net Charge0
Average Mass236.267
Monoisotopic Mass236.10486
SMILES[H]C(=O)c1ccc(OC(=O)C(C)C)c(OCC)c1
InChIInChI=1S/C13H16O4/c1-4-16-12-7-10(8-14)5-6-11(12)17-13(15)9(2)3/h5-9H,4H2,1-3H3
InChIKeyBTCQMCOBMIXUCG-UHFFFAOYSA-N
Roles Classification
Biological Role:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
ethyl vanillin isobutyrate (CHEBI:143870) has role flavouring agent (CHEBI:35617)
ethyl vanillin isobutyrate (CHEBI:143870) is a aromatic ether (CHEBI:35618)
ethyl vanillin isobutyrate (CHEBI:143870) is a benzaldehydes (CHEBI:22698)
ethyl vanillin isobutyrate (CHEBI:143870) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
2-ethoxy-4-formylphenyl 2-methylpropanoate
Synonyms  Source
ethyl vanillin isobutyrateChemIDplus
2-ethoxy-4-formylphenyl isobutyrateChemIDplus
4-isobutanoyloxy-3-ethoxybenzaldehydeChemIDplus
2-methylpropanoic acid 2-ethoxy-4-formylphenyl esterChEBI
Manual XrefsDatabases
HMDB0037683HMDB
FDB016810FooDB
Registry NumbersSources
CAS:188417-26-7ChemIDplus