Vanillin

GPTKB entity

Statements (54)
Predicate Object
gptkbp:instanceOf gptkb:chemical_compound
aromatic aldehyde
gptkbp:appearance white to slightly yellow crystals
gptkbp:aroma vanilla
gptkbp:biosynthesized_from ferulic acid
coniferyl alcohol
gptkbp:boilingPoint 285 °C
gptkbp:CASNumber 121-33-5
gptkbp:category food additives
aromatic compounds
aldehydes
phenols
flavor compounds
benzaldehydes
phenol ethers
vanilloids
gptkbp:chemicalFormula C8H8O3
gptkbp:density 1.056 g/cm³
gptkbp:discoveredBy Nicolas-Theodore Gobley
gptkbp:discoveredIn 1858
gptkbp:EC_number E1519
gptkbp:foundIn fermented vanilla pods
vanilla planifolia
gptkbp:hasInChIKey InChI=1S/C8H8O3/c1-11-8-3-2-5(4-9)6-7(8)10/h2-4,6,10H,1H3
gptkbp:hasSMILES COc1cc(C=O)ccc1O
https://www.w3.org/2000/01/rdf-schema#label Vanillin
gptkbp:IUPACName 4-hydroxy-3-methoxybenzaldehyde
gptkbp:KEGGID C01593
gptkbp:meltingPoint 81–83 °C
gptkbp:molecularWeight 152.15 g/mol
gptkbp:produces lignin
eugenol
guaiacol
gptkbp:PubChem_CID gptkb:CHEMBL418
1183
CHEBI:18346
gptkbp:relatedTo isovanillin
ethylvanillin
gptkbp:riskFactor may cause skin and eye irritation
gptkbp:solubility slightly soluble
gptkbp:solubility_in_ethanol soluble
gptkbp:source vanilla bean
synthetic production
gptkbp:UNII H8B59H10OK
gptkbp:used_in pharmaceuticals
food industry
perfumery
gptkbp:uses gptkb:perfume
flavoring agent
precursor to other chemicals
pharmaceutical intermediate
gptkbp:bfsParent gptkb:Hershey's_Nuggets
gptkb:Lindor
gptkbp:bfsLayer 6