1.02010-04-08 22:09:09 UTC2020-09-17 15:35:35 UTCFDB0105024'-Methoxyacetophenonep-Acetanisole also known as 4'-Methoxyacetophenone, 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. p-Acetanisole is an aromatic chemical compound with an aroma described as sweet, fruity, nutty, and similar to vanilla. In addition, Acetanisole can sometimes smell like butter or caramel. At room temperature p-Acetanisole is solid and has a white crystal-like structure. Once melted, the white crystals turn into a clear liquid. p-Acetanisole is a sweet, acacia, and anisic tasting compound. p-Acetanisole is found in the highest concentration in peppermints. p-Acetanisole has also been detected, but not quantified, in several different foods, such as alcoholic beverages, fruits, garden tomato, and herbs and spices. This could make p-Acetanisole a potential biomarker for the consumption of these foods. Acetanisole can be prepared synthetically by Friedel-Crafts acylation of anisole with acetyl chloride. It is used as a cigarette additive, a fragrance, and a flavoring in food.1-(4-Methoxyphenyl)-ethanone1-(4-Methoxyphenyl)ethanone4-Acetylanisole4-Methoxy-acetophenone4-Methoxyacetophenone4-Methoxyphenyl methyl ketone4'-Methoxy-acetophenone4'-MethoxyacetophenoneAcetanisoleAcetophenone, 4'-methoxy-Acetophenone, p-methoxy-Ethanone, 1-(4-methoxyphenyl)-FEMA 2005LinarodinP-acetylanisoleP-Methoxy-acetophenoneP-methoxyacetophenoneP-metoxyacetophenonePara-methoxyacetophenoneC9H10O2150.1745150.0680795641-(4-methoxyphenyl)ethan-1-oneP-methoxyacetophenone100-06-1COC1=CC=C(C=C1)C(C)=OInChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3NTPLXRHDUXRPNE-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 derivativesHydrocarbon derivativesMethoxybenzenesOrganic oxidesPhenoxy compoundsAcetophenoneAlkyl aryl etherAlkyl-phenylketoneAnisoleAromatic homomonocyclic compoundAryl alkyl ketoneBenzenoidBenzoylEtherHydrocarbon derivativeMethoxybenzeneMonocyclic benzene moietyOrganic oxidePhenol etherPhenoxy compoundacetophenonesmonomethoxybenzenelogp1.82logs-2.15solubility1.07e+00 g/lmelting_pointMp 38-39°logp1.37pka_strongest_acidic16.28pka_strongest_basic-4.8iupac1-(4-methoxyphenyl)ethan-1-oneaverage_mass150.1745mono_mass150.068079564smilesCOC1=CC=C(C=C1)C(C)=OformulaC9H10O2inchiInChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3inchikeyNTPLXRHDUXRPNE-UHFFFAOYSA-Npolar_surface_area26.3refractivity42.92polarizability16.08rotatable_bond_count2acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::NmrOneD3758Specdb::NmrOneD4015Specdb::EiMs1662Specdb::MsIr5547Specdb::MsIr5548Specdb::CMs21152Specdb::CMs28269Specdb::CMs29188Specdb::CMs29601Specdb::CMs29915Specdb::CMs101176Specdb::CMs101177Specdb::CMs101178Specdb::CMs101179Specdb::CMs169986Specdb::MsMs84315Specdb::MsMs84316Specdb::MsMs84317Specdb::MsMs146139Specdb::MsMs146140Specdb::MsMs146141Specdb::MsMs1474863Specdb::MsMs1474864Specdb::MsMs1474865Specdb::MsMs1474866Specdb::MsMs1474867Specdb::MsMs1474868Specdb::MsMs1474869Specdb::MsMs1474870Specdb::MsMs1474871Specdb::MsMs1474872Specdb::MsMs2449879Specdb::MsMs2449880Specdb::MsMs2449881Specdb::MsMs2485932Specdb::MsMs2485933Specdb::MsMs2485934HMDB32570#<Reference:0x0000555676066658>Alcoholic beveragesUnknowngenericFruitsUnknowngenericGarden tomatoType 1specificSolanum lycopersicum4081Herbs and SpicesUnknowngenericPeppermintType 1specificMentha X piperita342560.00550.00550.0055mg/100 gacaciaanisicbalsamicbitterbuttercaramelhawthornpowderysweetvanilla