1.02010-04-08 22:14:21 UTC2019-11-26 03:17:28 UTCFDB019429xi-3-Methyl-3-buten-2-olConstituent of orange, blackcurrant, grape and hops. xi-3-Methyl-3-buten-2-ol is found in cereals and cereal products, citrus, and fruits.C5H10O86.132386.0731649423-methylbut-3-en-2-ol3-buten-2-ol, 3-methyl-CC(O)C(C)=CInChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3JEYLKNVLTAPJAF-UHFFFAOYSA-Nlogp0.96logs0.13solubility1.17e+02 g/llogp0.87pka_strongest_acidic17.45pka_strongest_basic-1.7iupac3-methylbut-3-en-2-olaverage_mass86.1323mono_mass86.073164942smilesCC(O)C(C)=CformulaC5H10OinchiInChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3inchikeyJEYLKNVLTAPJAF-UHFFFAOYSA-Npolar_surface_area20.23refractivity26.12polarizability10.16rotatable_bond_count1acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsIr8299Specdb::MsIr8300Specdb::CMs20931Specdb::CMs46569Specdb::CMs131388Specdb::CMs139122Specdb::MsMs71109Specdb::MsMs71110Specdb::MsMs71111Specdb::MsMs129729Specdb::MsMs129730Specdb::MsMs129731Specdb::MsMs2815357Specdb::MsMs2815358Specdb::MsMs2815359Specdb::MsMs2893391Specdb::MsMs2893392Specdb::MsMs2893393HMDB39779#<Reference:0x0000555675c27768>Breakfast cerealType 2specificCereals and cereal productsUnknowngenericCitrusUnknowngenericFruitsUnknowngeneric