1.02010-04-08 22:04:35 UTC2019-11-26 02:54:52 UTCFDB0004771-(3,4-Dimethoxyphenyl)ethanone1-(3,4-dimethoxyphenyl)ethanone, also known as 3',4'-dimethoxyacetophenone, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 1-(3,4-dimethoxyphenyl)ethanone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 1-(3,4-dimethoxyphenyl)ethanone is a sweet, floral, and woody tasting compound found in oat and tea, which makes 1-(3,4-dimethoxyphenyl)ethanone a potential biomarker for the consumption of these food products. 1-(3,4-Dimethoxyphenyl)ethan-1-one1-(3,4-Dimethoxyphenyl)ethanone, 9CI3,4-Dimethoxyacetophenone3,4-Dimethoxyphenyl methyl ketone3',4'-Dimethoxyacetophenone3',4'-Dimethoxyacetophenone, 8CI4'-Hydroxy-3'-methoxyacetophenone, methyl etherAcetophenone, 3',4'-dimethoxy-Acetophenone, 3',4'-dimethoxy- (8CI)AcetoveratroneEthanone, 1-(3,4-dimethoxyphenyl)-Methyl 3,4-dimethoxyphenyl ketoneC10H12O3180.2005180.078644251-(3,4-dimethoxyphenyl)ethan-1-one1-(3,4-dimethoxyphenyl)ethanone1131-62-0COC1=C(OC)C=C(C=C1)C(C)=OInChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3IQZLUWLMQNGTIW-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.Alkyl-phenylketonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAromatic homomonocyclic compoundsAcetophenonesAlkyl aryl ethersAnisolesAryl alkyl ketonesBenzoyl derivativesDimethoxybenzenesHydrocarbon derivativesOrganic oxidesPhenoxy compoundsAcetophenoneAlkyl aryl etherAlkyl-phenylketoneAnisoleAromatic homomonocyclic compoundAryl alkyl ketoneBenzenoidBenzoylDimethoxybenzeneEtherHydrocarbon derivativeMethoxybenzeneMonocyclic benzene moietyO-dimethoxybenzeneOrganic oxidePhenol etherPhenoxy compoundacetophenonesdimethoxybenzenelogp1.68logs-2.07solubility1.53e+00 g/lmelting_pointMp 51°logp1.22pka_strongest_acidic16.15pka_strongest_basic-4.6iupac1-(3,4-dimethoxyphenyl)ethan-1-oneaverage_mass180.2005mono_mass180.07864425smilesCOC1=C(OC)C=C(C=C1)C(C)=OformulaC10H12O3inchiInChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3inchikeyIQZLUWLMQNGTIW-UHFFFAOYSA-Npolar_surface_area35.53refractivity49.39polarizability18.97rotatable_bond_count3acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::EiMs1679Specdb::NmrOneD3806Specdb::NmrOneD4071Specdb::MsMs51342Specdb::MsMs51343Specdb::MsMs51344Specdb::MsMs167985Specdb::MsMs167986Specdb::MsMs167987Specdb::MsMs3597133Specdb::MsMs3597134Specdb::MsMs3597135Specdb::MsMs3597136Specdb::MsMs3597137Specdb::MsMs3597138Black teaType 1Green teaType 1Herbal teaType 1OatType 1specificAvena sativa4498Red teaType 1TeaType 1specificCamellia sinensis4442floralsweetwoody