EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174151 - Vanillin 1,2-butylene glycol acetal

ChEBI IDCHEBI:174151
ChEBI NameVanillin 1,2-butylene glycol acetal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCOc1cc(C2OC(C)C(C)O2)ccc1O
InChIInChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3
InChIKeyJZJHVHUFPUYAJF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Vanillin 1,2-butylene glycol acetal (CHEBI:174151) is a methoxybenzenes (CHEBI:51683)
Vanillin 1,2-butylene glycol acetal (CHEBI:174151) is a phenols (CHEBI:33853)
IUPAC Name 
4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
Manual XrefsDatabases
21106006ChemSpider
HMDB0032552HMDB
Registry NumbersSources
CAS:63253-24-7ChemIDplus