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Cas 57696-89-6(3,5,5-trimethyl-1,2-cyclohexanedione, also known as 2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one) is a cyclic diketone flavor compound naturally found in tobacco leaves, with the molecular formula C9H14O2, molecular weight 154.21. It appears as white to pale yellow crystals or powder, possessing a characteristic tobacco aroma with coffee-like notes and a slight cool, sweet sensation. It is heat- and acid-resistant, chemically stable, and non-toxic, and is primarily used in the preparation of tobacco and food flavorings.
| Item | Specification |
| Melting Point | 90-91℃ |
| Boiling point | 90-100℃（2000Pa） |
| Density | ~0.98 g/cm³ (solid) |
| Flash point | 77–80°C |
| Solubility | Sparingly soluble in water (approx. 1–2 g/L); readily soluble in ethanol (1 g dissolves in 4 mL of 95% ethanol), diethyl ether, acetone, and other organic solvents. |
| Stability | Stable as a solid when stored in a sealed, dry container; exhibits a slight tendency to polymerize, which may affect storage and transportation; heat- and acid-resistant; stable at pH 2–7. |
Tobacco Industry: It is used to formulate cigarette flavorings, optimizing smoke taste and enhancing natural tobacco aroma, while also providing antimicrobial and antifungal properties to extend cigarette shelf life.
Food Processing: As a legally approved food flavoring, it is used to create coffee and fruit flavors, and to enhance the aroma and taste of beverages, baked goods, and confectionery.
Personal Care and Fragrance: It is used to produce tobacco and caramel-scented flavorings, applied in aromatherapy, personal care products, and perfume formulations.
Fine Chemicals: Serves as a synthetic intermediate for cyclic ketones and can also be used as a standard reference sample for laboratory testing.
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