EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:48408 - ethyl vanillin

ChEBI IDCHEBI:48408
ChEBI Nameethyl vanillin
Stars
DefinitionA member of the class of benzaldehydes that is vanillin in which the methoxy group is replaced by an ethoxy group.
Secondary ChEBI IDsCHEBI:31579, CHEBI:48389
Last Modified18 February 2014
Submitterhcourrier, Marcus Ennis
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
SMILES[H]C(=O)c1ccc(O)c(OCC)c1
InChIInChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
InChIKeyCBOQJANXLMLOSS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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 (CHEBI:48408) has functional parent vanillin (CHEBI:18346)
ethyl vanillin (CHEBI:48408) has role antioxidant (CHEBI:22586)
ethyl vanillin (CHEBI:48408) has role flavouring agent (CHEBI:35617)
ethyl vanillin (CHEBI:48408) is a aromatic ether (CHEBI:35618)
ethyl vanillin (CHEBI:48408) is a benzaldehydes (CHEBI:22698)
ethyl vanillin (CHEBI:48408) is a phenols (CHEBI:33853)
IUPAC Name 
3-ethoxy-4-hydroxybenzaldehyde
Synonyms  Source
2-Ethoxy-4-formylphenolChemIDplus
ethyl protalChemIDplus
bourbonalChemIDplus
vanilalChemIDplus
3-ethoxyprotocatechualdehydeChemIDplus
Ethyl vanillinKEGG DRUG
Manual XrefsDatabases
D01086KEGG DRUG
CN101417931Patent
EthylvanillinWikipedia
WO2011042365Patent
HMDB0029665HMDB
Registry NumbersSources
Reaxys:1073761Reaxys
CAS:121-32-4ChemIDplus
CAS:121-32-4NIST Chemistry WebBook
Citations