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Two main components of rose essential oil, geraniol and nerol are highly volatile, and hardly water‐soluble, which limit their further development and application in food and cosmetics industry. Host‐guest inclusion complexation could be a promising strategy to address these issues. Herein, new inclusion systems of geraniol and nerol with two acyclic cucurbit[n]urils (ACBs) were fabricated, and their binding behaviors both in solution and solid states were investigated by fluorescence spectroscopy, NMR, XRD, FT‐IR spectroscopy and TGA. The results confirmed the formation of host‐guest inclusion complexes. The stoichiometry of the complexes was proved to be 1 : 1 by Job's plot. The possible inclusion modes were proposed by 2D‐ROESY experiments. The pH‐dependent release of guest molecules from the inclusion complexes has been studied via UV‐Vis spectroscopy. The heat‐controlled release properties of guest molecules from the solid inclusion complexes were studied via 1H NMR spectra. The complexes featured less volatilization under low temperature, longer retention time, better water solubility and improved heat‐controlled release properties. In brief, this work uncloses a new strategy to enhance the performance of essential oils and flavors/fragrances and further their application in the field of cosmetic and food industry.

WS‐23 (2 ‐Isopropyl‐ N,2,3 ‐Trimethylbutyramide) is a novel flavor cooling agent, which has been widely used as additive nowadays in food, medicine, cosmetics, daily necessities products, etc. However, its inherent poor solubility and thermal instability seriously limits its further application. Herein, new inclusion systems of WS‐23 with two acyclic cucurbit[n]urils (ACBs) were prepared for the first time, and their binding behaviors in solution and solid states were investigated by means of 1H NMR, 2D ROESY, XRD, FT‐IR SEM, and Fluorescence Spectroscopy. The data reveal that the stoichiometric ratio of the inclusion complex is 1 : 1, the solubility of WS‐23 can be enhanced by ca. 19.39 ‐ 31.72 folds. Besides, the heat‐controlled release properties of WS‐23 from the solid inclusion complexes were also investigated by TGA and 1H‐NMR, and its thermal stability in two inclusion complexes are both greatly improved. WS‐23 /M1(M2) exhibited a longer retention time in tobacco products and effectively improve the sensory quality. In brief, our work provides theoretical data and technical guidance for the development and application of water soluble WS‐23 with controlled heat release, which might further application of WS‐23 in the field of commercial industry.