Disdier, Zoe published the artcileEffect of solutes structure and pH on the n-octanol/water partition coefficient of ionizable organic compounds, Name: n-Octanol, the main research area is review solute pH noctanol water ionizable organic compound; Carboxylic acids; Emerging organic contaminant; Ionizable compounds; Partition coefficient; Zwitterion; n-octanol.
Liquid-liquid partition coefficient is a useful tool to predict biol. and environmental fate of organic compounds, for example bioaccumulation or toxicity of lipophilic contaminants. Conversely, the partitioning of ionizable compounds is poorly studied in contrast to that of neutral compounds Yet, such topic deserves attention, since numerous organic contaminants are ionizable as well as their degradation products. Hence, the contribution of charged species has to be considered in order to model accurately the mass balance or partition of ionizable compounds In this context, we investigated the liquid-liquid partition of 13 ionizable compounds (oxalic acid, histidine, benzimidazole, etc.), covering various classes of compounds (carboxylic acids, amino-acids, etc.). The n-octanol/water partition coefficient was measured from pH 1 up to 13, in order to fully gather the distribution of both neutral and charged species. Empirical models describing these results are reviewed and partition parameters adjusted for charged species. The study of benzoic acid derivatives (benzoic, salicylic, ortho- and iso-phthalic acids) provides insights on the influence of chem. groups on the partitioning. In the case of tryptophan, the use of acid/base microconstants allowed to estimate the partition of both the zwitterion and its neutral tautomer. Despite a major zwitterionic form (log PZ(tryptophan) = -1.58 ± 0.30), the minor but neutral tautomer (log PN(tryptophan) = +0.03 ± 0.30) drives the partition equilibrium Overall, the provided data may be useful to assess the retention of contaminants, its dependency on pH and salinity variations, and thus understanding their environmental fate. Such data may also be useful as well for mol. simulation involving solvation of organic ions in aqueous and non-aqueous solvents.
Chemosphere published new progress about Amino acids Role: TEM (Technical or Engineered Material Use), USES (Uses). 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Name: n-Octanol.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts