This study explores the hydrothermal carbonization (HTC) of mango seed biomass to synthesize hydrochar, with a focus on optimization and comprehensive material characterization. The hydrochar yield was optimized using Design Expert software and Response Surface Methodology (RSM), identifying optimal conditions of 200 ℃, 3 h, and a water to biomass ratio of 1 to maximize yield and calorific value. At the optimized conditions, the hydrochar achieved a notable yield of 85.89% along with a higher heating value (HHV) of 21.4 MJ/kg, reflecting a substantial improvement in energy content compared to the raw biomass, which exhibited an HHV of only 16.35 MJ/kg. The optimized hydrochar was analyzed using Field emission scanning electron microscopy (FESEM), powder X-ray diffraction (PXRD), Fourier-transform infrared spectroscopy (FTIR), and Thermogravimetric analysis (TGA). FESEM images revealed significant pore formation due to the decomposition of cellulosic and hemicellulose components. PXRD analysis confirmed increased crystallinity and the formation of stable aromatic carbon structures. FTIR spectra showed characteristic functional groups, including aromatic C = C stretching (1500–1600 cm⁻¹), hydroxyl bending and carboxylate groups (1000–1300 cm⁻¹), and Si–O–Si or Si–O–C bonds (1015 cm⁻¹). TGA demonstrated enhanced thermal stability and reduced volatile content, making the hydrochar suitable for high-temperature applications. The higher heating value (HHV) of mango seed hydrochar (21.4 MJ/kg) significantly exceeded that of raw biomass (16.35 MJ/kg), indicating improved energy density after HTC. The results highlight that HTC enhances the porosity of hydrochar, surface area, carbon content, thermal stability, and crystallinity. The optimized hydrochar from mango seed waste, with potential applications in adsorption, energy storage, catalysis, and cementitious industries, is scalable and promising for various applications.