The increasing demand for sustainable waste utilization has led to growing interest in cocoa shells as a valuable biomass resource. This study investigates the pyrolysis of cocoa shells, both untreated and acid-treated, at temperatures of 300, 400, and 500°C to extract valuable compounds with potential commercial applications. Pyrolysis, a thermochemical decomposition process in the absence of oxygen, was carried out using nitrogen as the pyrolysis atmosphere to ensure optimal reaction conditions. The aim was to optimize the production of bio-oils enriched with value-added compounds, such as fatty acids (FA) and anhydrosugars. These pyrolytic oils were analyzed using gas chromatography-mass spectrometry (GC-MS), revealing significant amounts of fatty acids, including palmitic acid, cis-vaccenic acid, and stearic acid. Notably, acid-washed cocoa shells exhibited higher bio-oil yields compared to untreated samples, with 500°C being the optimal temperature, yielding the highest amount of bio-oil. Furthermore, this temperature favored the formation of specific compounds, enhancing the overall value of the pyrolytic products. Additionally, the pyrolysis of acid-treated biomass resulted in a high concentration of levoglucosan, a valuable anhydrosugar, which accounted for over 50% at 500°C. These findings suggest that the pyrolysis of cocoa shells, especially when pretreated with acid, not only provides an efficient method of waste valorization but also generates bio-oil and biochar with potential properties for health, energy production, and environmental applications. This research highlights the importance of exploring agricultural residues, such as cocoa shells, for sustainable bioresource development, contributing to a circular economy and reducing the environmental impact of agro-industrial waste.