1.02010-04-08 22:04:43 UTC2019-11-26 02:55:28 UTCFDB0008224-Hydroxy-3,5-dimethoxybenzaldehyde4-hydroxy-3,5-dimethoxybenzaldehyde, also known as sinapaldehyde or 2,6-dimethoxy-4-formylphenol, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 4-hydroxy-3,5-dimethoxybenzaldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-hydroxy-3,5-dimethoxybenzaldehyde is a mild, sweet, and plastic tasting compound and can be found in a number of food items such as whisky, common grape, garden tomato (variety), and coriander, which makes 4-hydroxy-3,5-dimethoxybenzaldehyde a potential biomarker for the consumption of these food products. 4-hydroxy-3,5-dimethoxybenzaldehyde may be a unique S.cerevisiae (yeast) metabolite. Because it contains many functional groups, it can be classified in many ways - aromatic, aldehyde, phenol. It is a colorless solid (impure samples appear yellowish) that is soluble in alcohol and polar organic solvents. Its refractive index is 1.53 .3,5-Dimethoxy-4-Hydroxy-Benzaldehyde3,5-Dimethoxy-4-hydroxybenzaldehyde3,5-DIMETHOXY-4-HYDROXYBENZALDEHYDE, PURE3,5-Dimethoxy-4-hydroxybenzene carbonal4-Hydroksy-3,5-dwumetoksybenzaldehyd4-Hydroxy-3,5-dimethoxybenzaldehyde4-Hydroxy-3,5-dimethoxybenzaldehyde (syringaldehyde)4-hydroxy-3,5-methoxybenzaldehydeBenzaldehyde, 3,5-dimethoxy-4-hydroxy-Benzaldehyde, 4-hydroxy-3,5-dimethoxy-Cedar aldehydeGallaldehyde 3,5-dimethyl etherSiringic aldehydeSyringaaldehydeSyringaldehydeSyringe aldehydeSyringealdehydeSyringic aldehydeSyringylaldehydeC9H10O4182.1733182.0579088084-hydroxy-3,5-dimethoxybenzaldehydesyringaldehyde134-96-3COC1=CC(C=O)=CC(OC)=C1OInChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3KCDXJAYRVLXPFO-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.MethoxyphenolsOrganic compoundsBenzenoidsPhenolsMethoxyphenolsAromatic homomonocyclic compoundsAlkyl aryl ethersAnisolesBenzoyl derivativesDimethoxybenzenesHydrocarbon derivativesHydroxybenzaldehydesOrganic oxidesPhenoxy compoundsAldehydeAlkyl aryl etherAnisoleAromatic homomonocyclic compoundAryl-aldehydeBenzaldehydeBenzoylDimethoxybenzeneEtherHydrocarbon derivativeHydroxybenzaldehydeM-dimethoxybenzeneMethoxybenzeneMethoxyphenolMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenol etherPhenoxy compounddimethoxybenzenehydroxybenzaldehydelogp1.33logs-1.69solubility3.68e+00 g/lmelting_pointMp 113-114°logp1.07pka_strongest_acidic7.24pka_strongest_basic-4.6iupac4-hydroxy-3,5-dimethoxybenzaldehydeaverage_mass182.1733mono_mass182.057908808smilesCOC1=CC(C=O)=CC(OC)=C1OformulaC9H10O4inchiInChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3inchikeyKCDXJAYRVLXPFO-UHFFFAOYSA-Npolar_surface_area55.76refractivity47.55polarizability17.76rotatable_bond_count3acceptor_count4donor_count1physiological_charge0formal_charge0Specdb::EiMs1620Specdb::NmrOneD3829Specdb::NmrOneD4096Specdb::NmrOneD5081Specdb::NmrOneD5082Specdb::CMs3304Specdb::CMs121534Specdb::CMs987259Specdb::CMs987260Specdb::MsMs106824Specdb::MsMs106825Specdb::MsMs106826Specdb::MsMs173658Specdb::MsMs173659Specdb::MsMs173660Specdb::MsMs2226913Specdb::MsMs2227778Specdb::MsMs2229349Specdb::MsMs2230129Specdb::MsMs2231773Specdb::MsMs2232410Specdb::MsMs2234130Specdb::MsMs2234820CoconutType 1specificCocos nucifera13894Common grapeType 1specificVitis vinifera29760Common walnutType 1specificJuglans regia512409.34126.250.87299999mg/100 gCorianderType 1specificCoriandrum sativum4047CornType 1specificZea mays4577Garden tomato (var.)Type 1specificSolanum lycopersicum var. lycopersicum397755Grape wineType 2specific0.3338670.6677333380.0mg/100 gRumType 2specific0.0430.0430000030.043000003mg/100 gSpiritType 2specific0.0971110.0971111090.097111109mg/100 gVinegarType 2specific0.0766510.076651430.07665143mg/100 gWhiskyType 2specific0.1707580.1707575750.170757575mg/100 gmildplasticsweettonkawoodyanti edemic248anti inflammatory370A substance that reduces or suppresses inflammation.antioxidant502A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.cancer preventive754A substance that inhibits or prevents the proliferation of neoplasms.