1.02010-04-08 22:12:21 UTC2015-07-20 23:28:36 UTCFDB0163112-Butyl-3-phenyl-2-propen-1-al2-Butyl-3-phenyl-2-propen-1-al is a food flavorant.α-butylcinnamaldehydeα-butylcinnamic aldehyde2-(Phenylmethylene)-hexanal2-(Phenylmethylene)hexanal2-(Phenylmethylene)hexanal, 9CI2-Benzylidenehexanala-ButylcinnamaldehydeAlpha-butyl-beta-phenylacroleinalpha-Butyl-cinnamaldehydeAlpha-butylcinnamaldehydeAlpha-butylcinnamic aldehydeAlpha-n-butyl-beta-phenylacroleinButyl cinnamic aldehydeCinnamaldehyde, α-butyl-Cinnamaldehyde, alpha-butyl-FEMA 2191Hexanal, 2-(phenylmethylene)-C13H16O188.2655188.120115134(2Z)-2-(phenylmethylidene)hexanal(2Z)-2-(phenylmethylidene)hexanal7492-44-6CCCC\C(C=O)=C\C1=CC=CC=C1InChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10-GFBCBQNBXRPRQD-RAXLEYEMSA-N belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.CinnamaldehydesOrganic compoundsPhenylpropanoids and polyketidesCinnamaldehydesAromatic homomonocyclic compoundsAldehydesBenzene and substituted derivativesEnalsHydrocarbon derivativesOrganic oxidesAldehydeAlpha,beta-unsaturated aldehydeAromatic homomonocyclic compoundBenzenoidCarbonyl groupCinnamaldehydeEnalHydrocarbon derivativeMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp3.49logs-3.90solubility2.36e-02 g/llogp3.71pka_strongest_basic-4.5iupac(2Z)-2-(phenylmethylidene)hexanalaverage_mass188.2655mono_mass188.120115134smilesCCCC\C(C=O)=C\C1=CC=CC=C1formulaC13H16OinchiInChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10-inchikeyGFBCBQNBXRPRQD-RAXLEYEMSA-Npolar_surface_area17.07refractivity60.29polarizability22.51rotatable_bond_count5acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr7504Specdb::MsIr7505Specdb::CMs11451Specdb::CMs157969Specdb::MsMs291289Specdb::MsMs291290Specdb::MsMs291291Specdb::MsMs331156Specdb::MsMs331157Specdb::MsMs331158Specdb::MsMs2308257Specdb::MsMs2308258Specdb::MsMs2308259Specdb::MsMs2653598Specdb::MsMs2653599Specdb::MsMs2653600HMDB37292#<Reference:0x0000555675af2000>floralgreenherbaljasminlily