Abstract: In order to reduce the environmental pollution caused by the use of diesel fuel and to promote the development of the automotive industry towards greater environmental protection and efficiency, China has upgraded diesel quality from China IV to China VI, with increasingly stringent standards for the physicochemical properties of diesel. The quality upgrade has a direct impact on the physicochemical properties of diesel fuel, which are determined by its chemical composition. Therefore, investigating the relationship between the chemical composition and physicochemical properties of diesel fuel can help fuel producers optimize diesel formulations to meet higher quality requirements and assist users in selecting diesel products based on their needs to improve diesel utilization and reduce environmental pollution. This study reviews the intrinsic relationships between the chemical composition of diesel fuel and its density, cetane number, lubricity, low-temperature fluidity, sulfur-containing compounds, nitrogen-containing compounds, and fatty acid methyl esters (FAME). This study provides a theoretical basis for diesel blending and quality upgrading, as well as a useful reference for sustainable energy development and environmental protection.