Isoprocarb (IPC) is one of the most important carbamate pesticides for white flea control in coffee plants. The prevalence of isoprocarb pesticide residues in coffee, i.e., green coffee beans, is a cause for concern. Green coffee beans were intentionally contaminated with isoprocarb at concentrations >0.01 mg/kg, which was investigated in this research. Quantitative analysis of isoprocarb with the QuEChERS method and qualitative analysis for metabolite formation was characterized using UV-Vis, FTIR, 1H-NMR, GC-MS, and LC-QTOF-MS. Based on the data, the metabolite formed is o-cumenol through the hydrolysis reaction of o-aryl carbamate with the enzyme carboxylesterase. o-cumenol or 2- isopropylphenol as a phenol derivative. To verify the existence of metabolite analytes that are believed to be there in coffee tainted with isoprocarb, more reliable analytical techniques utilizing analytical standards must be developed. Isoprocarb concentrations decreased along the storage time, especially in unsterilized conditions. As a toxic compound, a quantitative structural activity relationship study (QSAR) was initially carried out through a software application for estimating toxicity (TEST) provided by the US Environmental Protection Agency (EPA). For additional information, based on the LC50 and LD50 data confirmed from the TEST application, it was concluded that isoprocarb is more toxic than o-cumenol.