EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86956 - vanillin acetate

ChEBI IDCHEBI:86956
ChEBI Namevanillin acetate
Stars
DefinitionA phenyl acetate obtained by the formal condensation of phenolic group of vanillin with acetic acid.
Last Modified3 April 2018
DownloadsMolfile
FormulaC10H10O4
Net Charge0
Average Mass194.186
Monoisotopic Mass194.05791
SMILES[H]C(=O)c1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3
InChIKeyPZSJOBKRSVRODF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
vanillin acetate (CHEBI:86956) has functional parent vanillin (CHEBI:18346)
vanillin acetate (CHEBI:86956) is a benzaldehydes (CHEBI:22698)
vanillin acetate (CHEBI:86956) is a monomethoxybenzene (CHEBI:25235)
vanillin acetate (CHEBI:86956) is a phenyl acetates (CHEBI:140310)
IUPAC Name 
4-formyl-2-methoxyphenyl acetate
Synonyms  Source
4-O-acetylvanillinChemIDplus
acetylvanillinChemIDplus
4-(acetyloxy)-3-methoxybenzaldehydeChemIDplus
Manual XrefsDatabases
HMDB0029663HMDB
Registry NumbersSources
Reaxys:1963795Reaxys
CAS:881-68-5ChemIDplus
Citations