Abstract: Potassium benzyl xanthate (BzX) and potassium 4-methylphenyl xanthate(MPX), which are isomers of each other, were synthesized via the reaction of benzyl alcohol or p-methylphenol, carbon disulfide, and potassium hydroxide, and characterized by a variety of techniques. The results showed that the optimal molar ratio of carbon disulfide to benzyl alcohol or p-methylphenol was 4 GA6FA 1 and the optimal synthesis temperature for BzX was 30℃, and the optimal synthesis temperature for BzX was 25℃. The flotation performance and adsorption mechanism of BzX, MPX on the chalcopyrite were investigated. Flotation results and DFT theoretical calculations indicated that BzX exhibited better collecting performance compared with MPX. The adsorption mechanism of agents on the chalcopyrite surface was investigated by DFT calculation and infrared spectrum analysis. The results showed that the adsorption of the two collectors on the malachite surface was mainly chemical adsorption.