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Vanillin

Names Preferred IUPAC name4-Hydroxy-3-methoxybenzaldehydeOther names VanillinMethyl vanillinVanillic aldehydeIdentifiers CAS Number121-33-53D model (JSmol)Interactive imageBeilstein Reference472792 ChEBICHEBI:18346ChEMBLChEMBL13883ChemSpider13860434ECHA InfoCard100.004.060EC Number204-465-2Gmelin Reference3596 IUPHAR/BPS6412KEGGD00091MeSHvanillinPubChemCID1183RTECS numberYW5775000UNIICHI530446XCompTox Dashboard(EPA)DTXSID0021969InChIInChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,8H,1H3Key: MWOOGOJBHIARFG-UHFFFAOYSA-NInChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3Key: MWOOGOJBHIARFG-UHFFFAOYASSMILESc1(C=O)cc(OC)c(O)cc1Properties Chemical formulaC8H8O3Molar mass152.149 g·mol Appearance White solid OdorVanilla, sweet, balsamic, pleasant Density1.056 g/cm Melting point81 °C (178 °F; 354 K) Boiling point285 °C (545 °F; 558 K) Solubility in water10 g/L log P1.208 Vapor pressure>1 Pa Acidity (pKa) 7.781 Basicity (pKb) 6.216 Structure Crystal structureMonoclinic Thermochemistry Std enthalpy ofcombustion(ΔcH298)−3.828 MJ/mol Hazards GHS labelling: PictogramsSignal wordWarningHazard statementsH302, H317, H319Precautionary statementsP280, P305+P351+P338NFPA 704 (fire diamond) 110Flash point147 °C (297 °F; 420 K) Safety data sheet (SDS) ICSC 1740Related compounds Related compoundsAnisaldehydeApocyninEugenolPhenolVanillyl alcoholExcept where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).Nverify ( ?)

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