Glycerides are fatty acid esters of glycerol; they are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils. 611-13-2, formula is C6H6O3, Name is Methyl furan-2-carboxylate. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Reference of 611-13-2.
Goel, Reema;Reilly, Samantha M.;Valerio, Luis G. Jr. research published 《 A Computational Approach for Respiratory Hazard Identification of Flavor Chemicals in Tobacco Products》, the research content is summarized as follows. Flavor chems. contribute to the appeal and toxicity of tobacco products, including electronic nicotine delivery systems (ENDS). The assortment of flavor chems. available for use in tobacco products is extensive. In this study, a chem.-driven computational approach was used to evaluate flavor chems. based on intrinsic hazardous structures and reactivity of chems. A large library of 3012 unique flavor chems. was compiled from publicly available information. Next, information was computed and collated based on their (1) physicochem. properties, (2) Global Harmonization System (GHS) health hazard classification, (3) structural alerts linked to the chem.’s reactivity, instability, and/or toxicity, and (4) common substructure shared with FDA’s harmful and potentially harmful constituents (HPHCs) flavor chems. that are respiratory toxicants. Computational anal. of the constructed flavor library flagged 638 chems. with GHS classified respiratory health hazards, 1079 chems. with at least one structural alert, and 2297 chems. with substructural similarity to FDA’s established and proposed list of HPHCs. A subsequent anal. was performed on a subset of 173 chems. in the flavor library that are respiratory health hazards, contain structural alerts as well as flavor HPHC substructures. Four general toxicophore structures with an increased potential for respiratory toxicity were then identified. In summary, computational methods are efficient tools for hazard identification and understanding structure-toxicity relationship. With appropriate context of use and interpretation, in silico methods may provide scientific evidence to support toxicol. evaluations of chems. in or emitted from tobacco products.
611-13-2, Methyl 2-furoate has been identified as one of the volatile flavor compounds in tequila, okra, berrycactus and black currant juice.
Methyl 2-furoate, also known as fema 2703 or methyl pyromucate, belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid. Methyl 2-furoate is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Within the cell, methyl 2-furoate is primarily located in the cytoplasm. Methyl 2-furoate is a sweet, fruity, and fungal tasting compound that can be found in a number of food items such as cocoa and cocoa products, potato, tamarind, and fruits. This makes methyl 2-furoate a potential biomarker for the consumption of these food products.
Methyl 2-furoate is a reactive compound that belongs to the family of sesquiterpene lactones. It has been shown to have phosphotungstic acid and hydrochloric acid reactivity, as well as nitrous and water vapor sensitivity. Methyl 2-furoate also reacts with radiation, which can be used for structural analysis. The compound is an intermediate in the synthesis of pluronic p123, which is used in fabricating biomedical devices. Methyl 2-furoate has been shown to have anti-inflammatory properties through its inhibitory effect on prostaglandin synthesis., Reference of 611-13-2
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics