Systematic screening of bifunctional ionic liquid for intensifying esterification of methyl heptanoate in the reactive extraction process was written by Wang, Ruizhuan;Chen, Guzhong;Qin, Hao;Cheng, Hongye;Chen, Lifang;Qi, Zhiwen. And the article was included in Chemical Engineering Science in 2021.Safety of Methyl heptanoate The following contents are mentioned in the article:
For long-chain ester formation, reactive extraction intensified by a bifunctional solvent is a proper process concept as the product ester is usually not soluble in water. To screen a bifunctional ionic liquid (IL), both extraction performance and catalytic activity are considered, taking esterification of methanol and heptanoic acid as example. Based on solute-in-IL infinite dilution activity coefficient generated from DNN-based recommender system, infinite dilution selectivity between product and reactant in ILs is adopted to evaluate extraction performance. The acid dissociation constant (pKa) obtained by quantum chem. calculation is used to evaluate the catalytic activity of ILs. The screened IL, 1-propyl-2,3-dimethylimidazol-3-ium hydrogen sulfate ([IM-3,1,1][HSO4]), has a high infinite dilution selectivity of 710.77 and pKa of 5.81. Both UNIFAC-IL calculation and exptl. validation are performed to examine phase splitting and reaction results. The screened IL gives higher ester yield and ester phase purity than the most commonly used bifunctional IL [BMIM][HSO4]. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0Safety of Methyl heptanoate).
Methyl heptanoate (cas: 106-73-0) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Safety of Methyl heptanoate
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics