Isopulegol (ISOP) is a monoterpenoid alcohol presented in the essential oils of several plants that possesses therapeutic properties The aim of this work was prepare samples with ISOP and a-and b-cyclodextrins (aand b-CD) through three different methods: physical mixture, paste method (PC) and slurry complexation (SC). In order to evaluate the formation of inclusion complexes, the techniques of differential scanning calorimetry, thermogravimetry/derivative thermogravimetry, fourier transform infrared spectroscopy, X-ray diffractometry (XRD), gas chromatography-mass spectrometry analyses (GC/ MS), docking, nuclear magnetic resonance and scanning electron microscopy were considered. The analyses of the a-CD or b-CD/ISOP revealed the formation of a complex mainly through the PC and SC methods for a-CD and b-CD, respectively. XRD diffraction characteristics presented formation of a trend to new solid phase, which suggested the formation of inclusion complexes. The GC/MS demonstrated that the PC method was the best one to form complexation with a-CD (48.8 %). Concerning b-CD, the SC method exhibited the strongest complexation (68.3 %). Furthermore, the molecular theoretical docking study demonstrated that a-CD/ISOP inclusion complex formed a more stable complex than did the b-CD/ISOP inclusion complex.