1.02010-04-08 22:06:26 UTC2019-11-26 03:00:17 UTCFDB004883trans-2-MethoxycinnamaldehydeCassiastearoptene, also known as 2-methoxy cinnamaldehyde, is a member of the class of compounds known as cinnamaldehydes. Cinnamaldehydes are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. Cassiastearoptene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cassiastearoptene is a sweet, cassia, and cinnamon tasting compound found in ceylon cinnamon, chinese cinnamon, herbs and spices, and sweet basil, which makes cassiastearoptene a potential biomarker for the consumption of these food products. C10H10O2162.1852162.068079564(2E)-3-(2-methoxyphenyl)prop-2-enal2-methoxycinnamaldehyde1504-74-1COC1=CC=CC=C1\C=C\C=OInChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+KKVZAVRSVHUSPL-GQCTYLIASA-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 compoundsAldehydesAlkyl aryl ethersAnisolesEnalsHydrocarbon derivativesMethoxybenzenesOrganic oxidesPhenoxy compoundsStyrenesAldehydeAlkyl aryl etherAlpha,beta-unsaturated aldehydeAnisoleAromatic homomonocyclic compoundBenzenoidCarbonyl groupCinnamaldehydeEnalEtherHydrocarbon derivativeMethoxybenzeneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenol etherPhenoxy compoundStyrenelogp2.05logs-2.72solubility3.11e-01 g/llogp1.82pka_strongest_basic-4.5iupac(2E)-3-(2-methoxyphenyl)prop-2-enalaverage_mass162.1852mono_mass162.068079564smilesCOC1=CC=CC=C1\C=C\C=OformulaC10H10O2inchiInChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+inchikeyKKVZAVRSVHUSPL-GQCTYLIASA-Npolar_surface_area26.3refractivity48.6polarizability17.3rotatable_bond_count3acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs19828Specdb::CMs132103Specdb::CMs139837Specdb::MsIr6285Specdb::MsIr6286Specdb::MsMs72492Specdb::MsMs72493Specdb::MsMs72494Specdb::MsMs131436Specdb::MsMs131437Specdb::MsMs131438Specdb::MsMs2253228Specdb::MsMs2253248Specdb::MsMs2255235Specdb::MsMs2255321Specdb::MsMs2259217Specdb::MsMs2259338Specdb::MsMs2380527Specdb::MsMs2380528Specdb::MsMs2380529Specdb::MsMs2557764Specdb::MsMs2557765Specdb::MsMs2557766Chinese cinnamonType 1specificCinnamomum aromaticum119260