The main objective of this study is to optimize a new composite for the depollution of contaminated water. The sodium hydroxide-modified Avocado shells (NaOH-AS) were firstly prepared, characterized by field-emission-scanning-electron-microscopy (FE-SEM), X-ray energy dispersive spectroscopy (EDS) and Fourier transforms infrared (FT-IR) spectroscopy, and applied for efficient removal of Crystal violet dye (CV) in wastewater. In addition, the adsorption in a batch system of CV dye on the NaOH-AS material was studied. Therefore, we accomplished a parametric study of the adsorption by studying the effect of several important parameters on the decolorizing power of the used material, namely, initial pH, contact time, initial CV dye concentration, temperature, and the ionic strength effect on the CV dye adsorption process were systematically assessed. The highest adsorption efficiency of CV dye (>96.9%) by NaOH-AS was obtained at pH >8. The pseudo-second-order kinetic model gave the best description of the adsorption kinetic of CV dye on the AS and NaOH-AS adsorbents. Besides, the mass transfer of CV dye molecules from the solution to the adsorbent surface occurred in three sequential stages (boundary layer diffusion, intraparticle diffusion and adsorption equilibrium). The adsorption isotherm data were best fitted with the Freundlich model. The adsorption capacity of AS increased from 135.88 to 179.80 mg g−1 after treatment by 1 M NaOH. The thermodynamic study showed that CV dye adsorption onto NaOH-AS was an exothermic and feasible process. The electrostatic interactions acted as the only forces governing the CV adsorption mechanism. The NaOH-AS demonstrated a satisfactory reusability. Therefore, we can state that the as-developed NaOH-AS material has a potential application prospect as an efficient adsorbent for CV dye from wastewaters.