1.02010-04-08 22:05:42 UTC2015-07-20 21:52:06 UTCFDB0032174-Methyl-2-pentenalFlavouring ingredient2-Pentenal, 4-methyl-4-Methyl-2-pentene-1-al4-Methylpent-2-enalFEMA 3510C6H10O98.14398.073164942(2Z)-4-methylpent-2-enal(2Z)-4-methylpent-2-enal5362-56-1CC(C)\C=C/C=OInChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3-RIWPMNBTULNXOH-ARJAWSKDSA-N belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.EnalsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsAldehydesHydrocarbon derivativesOrganic oxidesAldehydeAliphatic acyclic compoundEnalHydrocarbon derivativeOrganic oxideLiquidlogp1.45logs-1.43solubility3.65e+00 g/llogp1.49pka_strongest_basic-4.3iupac(2Z)-4-methylpent-2-enalaverage_mass98.143mono_mass98.073164942smilesCC(C)\C=C/C=OformulaC6H10OinchiInChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3-inchikeyRIWPMNBTULNXOH-ARJAWSKDSA-Npolar_surface_area17.07refractivity31.19polarizability11.36rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr4165Specdb::MsIr4166Specdb::CMs21526Specdb::CMs148357Specdb::NmrOneD162869Specdb::NmrOneD162870Specdb::NmrOneD162871Specdb::NmrOneD162872Specdb::NmrOneD162873Specdb::NmrOneD162874Specdb::NmrOneD162875Specdb::NmrOneD162876Specdb::NmrOneD162877Specdb::NmrOneD162878Specdb::NmrOneD162879Specdb::NmrOneD162880Specdb::NmrOneD162881Specdb::NmrOneD162882Specdb::NmrOneD162883Specdb::NmrOneD162884Specdb::NmrOneD162885Specdb::NmrOneD162886Specdb::NmrOneD162887Specdb::NmrOneD162888Specdb::MsMs313861Specdb::MsMs313862Specdb::MsMs313863Specdb::MsMs359452Specdb::MsMs359453Specdb::MsMs359454Specdb::MsMs3055613Specdb::MsMs3055614Specdb::MsMs3055615Specdb::MsMs3111710Specdb::MsMs3111711Specdb::MsMs3111712HMDB31196#<Reference:0x0000555675c49458>aldehydicapplecognacgreenwoody