Ionization effects on the partitioning behavior of food and beverage aroma compounds between aqueous phases and air and organic matrices

摘要: Aroma compounds in the Flavornet database were screened for ionizable functional groups such as carboxylic acids, aliphatic and aromatic amines, phenols, alcohols, thiols. Of 738 aroma listed this database, 101 molecules have moieties with estimated monomeric aqueous pK~a~ values ranging between 1.75 10.97. pH dependent effective air/water partitioning coefficients (K~aw,eff~) n-octanol/water (D~ow~) all over range from 0 to 14. The display a broad of K~aw,eff~ (1.8 × 10^-23^ 6.1 atm M^-1^) log D~ow~ (-6.2 +7.2 units) values. For many compounds, ionization will significant effect on D~ow~, leading variations these physico-chemical properties by up 11 orders magnitude composite common foods beverages. Changes food beverage affect not only relative contributions neutral versus charged forms (which directly affects analyte volatility olfactory reception), but also freely dissolved sorbed solution indirectly volatility).