1.02010-04-08 22:15:43 UTC2015-07-21 06:53:24 UTCFDB0214742-Acetyl-3-methylthiopheneFlavouring ingredient with a honey-like flavour1-(3-Methyl-2-thienyl)-ethanone1-(3-Methyl-2-thienyl)ethan-1-one1-(3-Methyl-2-thienyl)ethanone1-(3-Methyl-2-thienyl)ethanone, 9CI3-methyl-2-acetylthiopheneEthanone, 1-(3-methyl-2-thienyl)-Methyl 3-methyl-2-thienyl ketone, 8CIThiophene, 2-acetyl-3-methylC7H8OS140.203140.0295855681-(3-methylthiophen-2-yl)ethan-1-one1-(3-methylthiophen-2-yl)ethanone13679-72-6CC(=O)C1=C(C)C=CS1InChI=1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3YBJDKNXEWQSGEL-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.Aryl alkyl ketonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAromatic heteromonocyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesThiophenesAromatic heteromonocyclic compoundAryl alkyl ketoneHeteroaromatic compoundHydrocarbon derivativeOrganic oxideOrganoheterocyclic compoundThiophenelogp1.63logs-2.33solubility6.56e-01 g/llogp1.96pka_strongest_acidic15.18pka_strongest_basic-7.7iupac1-(3-methylthiophen-2-yl)ethan-1-oneaverage_mass140.203mono_mass140.029585568smilesCC(=O)C1=C(C)C=CS1formulaC7H8OSinchiInChI=1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3inchikeyYBJDKNXEWQSGEL-UHFFFAOYSA-Npolar_surface_area17.07refractivity38.39polarizability14.71rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs19358Specdb::CMs156207Specdb::MsIr9281Specdb::MsIr9282Specdb::MsMs309016Specdb::MsMs309017Specdb::MsMs309018Specdb::MsMs353344Specdb::MsMs353345Specdb::MsMs353346Specdb::MsMs2744583Specdb::MsMs2744584Specdb::MsMs2744585Specdb::MsMs2936947Specdb::MsMs2936948Specdb::MsMs2936949HMDB41502#<Reference:0x00005556745f1d68>almondcanangafloralphenolicwintergreen