Two functional citral-based azobenzene derivatives with different substituted groups have been synthesized and their photoisomerization have also been investigated. It has been found that depending on different substituted groups, the formed azobenzene derivatives showed different properties, indicating distinct regulation of molecular skeletons. UV and IR data confirmed commonly the characteristic absorption of citral chain and aromatic segments in molecular structures. The photoisomerization of these compounds both in solution and in cast film were investigated and showed changes depending on different substituted groups. The present results have demonstrated that the special properties of azobenzene derivatives can be effectively turned by modifying molecular structures of objective compounds with proper substituted groups, which show potential application in functional material field.