Abstract: In order to elucidate the influence mechanism of stacking temperature on flavor compounds and their metabolism in cigar tobacco leaves, Xiangxue No. 1 was selected as the experimental material. Four stacking temperature treatments (37, 40, 43, and 46 °C) were applied to analyze changes in the category composition of flavor compounds. The results showed that erpenes, esters, and heterocyclic compounds, were more sensitive to temperature changes. Among them, esters exhibited the most pronounced response and played a key role in driving flavor variation under stacking temperature regulation. With increasing temperature, esters showed complex response patterns such as accumulation or degradation depending on treatment conditions. Ketones were significantly enriched under high temperatures, while heterocyclic compounds were primarily degraded, both exhibiting relatively uniform response patterns. Orthogonal partial least squares discriminant analysis (OPLS-DA) combined with relative odor activity value (rOAV) analysis identified methyl formate, α-ionone, (E)-3-phenylallyl acetate, and isobutyl geraniate as key flavor compounds contributing to the floral and sweet aromas of cigar leaves. Their contents decreased significantly under high-temperature treatment, which was an important reason for the weakening of floral style characteristics. Based on these results, high-temperature treatment reduces the content of key ester compounds responsible for the floral aroma. Therefore, prior to cigar leaf fermentation, the stacking temperature should be reasonably selected according to the characteristics of the original leaf style. The tobacco leaves with floral aroma should not undergo high-temperature fermentation, and a temperature range of 40–43 °C is recommended.