We describe a dataset of the quantitative reactivity of organic chemicals with concentrated sulfuric acid. As well as being a key industrial chemical, sulfuric acid is of environmental and planetary importance. In the absence of measured reaction kinetics, the reaction rate of a chemical with sulfuric acid can be estimated from the reaction rate of structurally related chemicals. To allow an approximate prediction, we have collected 589 sets of kinetic data on the reaction of organic chemicals with sulfuric acid from 262 literature sources and used a functional group-based approach to build a model of how the functional groups would react in any sulfuric acid concentration from 60–100%, and between −20 °C and 100 °C. The data set provides the original reference data and kinetic measurements, parameters, intermediate computation steps, and a set of first-order rate constants for the functional groups across the range of conditions −20 °C–100 °C and 60–100% sulfuric acid. The dataset will be useful for a range of studies in chemistry and atmospheric sciences where the reaction rate of a chemical with sulfuric acid is needed but has not been measured.Dataset:doi: 10.5281/zenodo.4467868Dataset License:Dataset is made available under the Creative Commons license CC BY (SA).Keywords:kinetics;reactivity;sulfuric acid;sulfonation;solvolysis
Glucosinolates (GLs) serve as crucial precursors for bioactive isothiocyanates (ITCs). As a GL, glucoraphenin (GRE) exhibits significant potential for diverse applications. Despite being deemed stable, massive GRE decomposed during cooking and processing. To further enhance the application of GRE, the decomposition mechanisms were investigated by initiating the decomposition reactions through manipulation of concentration, temperature, pH value, solvents, and reducing agents. The decomposition products were identified using NMR and LC-MS to further elucidate the decomposition mechanisms. The solvolysis initiated the decomposition, with the decomposition products being determined by the selective removal of either glucose or thioglucose, which was influenced by exogenous factors. The removal of thioglucose disabled the formation of ITCs, and nitrile was generated through a redox mechanism involving the removal of HS-OH. These mechanisms helped elucidate the effects of various factors on GRE decomposition and provided insights for effective utilization of GRE during the cooking or processing.
危险品化学品经营许可证（带存储）