Interaction studies of volatiles from jackfruit on α-phosphorene nanosheet-a DFT outlook was written by Nagarajan, V.;Bhavadharani, R. Keerthi;Chandiramouli, R.. And the article was included in Structural Chemistry in 2020.Quality Control of Isopentyl 3-methylbutanoate This article mentions the following:
The present report brings out the interaction between the black phosphorene nanosheet and volatile organic compounds (VOCs) originating from jackfruit using the first-principles calculation Using the cohesive formation energy, the stable nature of the phosphorene nanosheet is confirmed. The energy band structure provides the insights on the electronic properties of phosphorene nanosheet and the energy gap is detected to be 0.59 eV, showing semiconductor nature. Besides, present results reveal the interaction of VOC compounds emitted from jackfruit (during various ripening stages). The adsorption of VOCs on phosphorene nanosheet is in the following order isopentyl isovalerate > Bu isovalerate > isopentyl acetate > Bu acetate. The adsorption energy including energy gap, Bader charge transfer, and average energy gap variation clearly signifies the adsorption property of VOC compounds from jackfruit on phosphorene nanosheet, which serves as the fingerprint to estimate the jackfruit freshness. Also, by using energy band structure, electron d., and d. of states (DOS) maps, the adsorption property of VOC compounds have been explored. The result suggests that phosphorene sheets can be used as a sensing material to estimate the quality of jackfruit. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Quality Control of Isopentyl 3-methylbutanoate).
Isopentyl 3-methylbutanoate (cas: 659-70-1) 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. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Quality Control of Isopentyl 3-methylbutanoate
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics