Skin is the outermost barrier of the body, making it vulnerable to various external stimuli that can directly influence skin aging. To maximize the impact of cosmetics that delay skin aging, the stabilization of cosmetic ingredients is necessary. In addition to microencapsulation, liposome, and liquid crystal methods to increase the bioavailability of cyclodextrin, various studies have been conducted that utilize its structural characteristics to improve its properties of solubility, stability, and sustained release. In the present study, we reviewed previous investigations demonstrating that cyclodextrin enhanced the usefulness of various active ingredients as cosmetics materials based on its structural characteristics. Cyclodextrin inclusion complexes of esculin, hydrogel, coenzyme Q10, and genistein were compared with each non-inclusion material. The results showed that cyclodextrin increased solubility and improved skin permeability. Additionally, cysteinyl β-cyclodextrin, formed by combining a structural unit of the amino acid cysteine with β-cyclodextrin, showed a complexing function specific to the flavonoid baicalein. The strongly hydrophilic cysteine site of the complex improved the dissolution of baicalein in water. Therefore, further studies should investigate the various structure-specific host complexes with different cyclodextrin structure derivatives besides the cysteinyl group to enhance the already verified efficacy of the effective ingredients. Furthermore, it is expected that cyclodextrin will be commercialized as a stabilizing material for active ingredients in the cosmetic industry if clinical studies can prove the effectiveness of the β-cyclodextrin inclusion function in functional cosmetics.