2D-QSPR of the retention/release property for odorant molecules in pectin gels of different concentration was written by Ouabane, Mohamed;Hajji, Halima;Belhassan, Assia;Koubi, Yassin;El Bouhi, M’hamed;Badaoui, Hassan;Sekkate, Chakib;Lakhlifi, Taher. And the article was included in Rhazes: Green and Applied Chemistry in 2022.Quality Control of 3,7-Dimethyloctan-1-ol The following contents are mentioned in the article:
2D-QSPR is a Physico-chem. modeling method studied the quant. structure-property relationship was implemented to study the phenomenon of released retention of odorant compounds in pectin gels PG-0.8 and PG-0.4 (two different mass concentrations of pectin 0.8% and 0.4%), this method is able to determine the mol. properties and then under control this phenomenon based on the assumption that each structural change will inevitably lead to changes in the retention property of odorant compounds belonging to a series of mols. with different structures and organic functions (9 ketones, 11 aldehydes, 15 alcs., and 16 esters) in the same set, and then in subgroups according to a given structural characteristic in order to highlight the structural characteristics that influence this phenomenon; This series contains a total of 51 mols. divided into two sets 34 learning mols. and 17 test mols. The best explanatory descriptors were selected by principal component anal. to establish the quant. structure-property relationship (QSPR) of the odorant mols. of different pectin concentration PG-0.8% and PG-0, 4% using multiple linear regression (MLR) and multiple non-linear regression (MNLR) to propose a quant. model based on these analyses of comparison of results we find only two models A11 by MLR with a correlation coefficient of R = 0.97 and B32 by MNLR with a correlation coefficient of R = 0.98 which are verified all criteria of internal and external validation. This study involved multiple reactions and reactants, such as 3,7-Dimethyloctan-1-ol (cas: 106-21-8Quality Control of 3,7-Dimethyloctan-1-ol).
3,7-Dimethyloctan-1-ol (cas: 106-21-8) belongs to alcohols. Similar to water, an alcohol can be pictured as having an sp3 hybridized tetrahedral oxygen atom with nonbonding pairs of electrons occupying two of the four sp3 hybrid orbitals. Secondary alcohols are easily oxidized without breaking carbon-carbon bonds only as far as the ketone stage. No further oxidation is seen except under very stringent conditions.Quality Control of 3,7-Dimethyloctan-1-ol
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts