4,4-Dimethyl-6-acetylthiochroman is a sulfur-containing bicyclic ketone in which an acetyl group is located at position 6 of the thiochroman (dihydro-1-benzothiopyran) ring and two methyl groups are geminal at C-4. The compound is air-stable, freely soluble in dichloromethane, ethyl acetate, hot ethanol and toluene, and practically insoluble in water. Commercial material is supplied ≥98 % pure.
Key physicochemical data:
Melting point: 62–64 °C (lit.)
Predicted boiling point: 380 °C / 760 mmHg
Density: 1.12 g cm⁻³ (25 °C, solid)
Flash point: >200 °C
Log P (octanol/water): 4.2 (predicted)
Typical uses:
Versatile building block for thio-chroman-based pharmaceuticals, agro-chemicals and UV-absorbers.
Precursor for sulfoxide/sulfone derivatives via selective oxidation at sulfur.
Model substrate for mechanistic studies on sulfur-directed aromatic acylation and heterocyclic ketone photochemistry.
Quality specification (commercial grade):
Purity (GC): ≥98 %
Water content (KF): ≤0.3 %
Free acid (as acetic acid): ≤0.5 %
Residue on ignition: ≤0.1 %
Heavy metals: ≤20 ppm
Hazard statement:
Causes skin and eye irritation (H315 + H319). Avoid inhalation of dust; use gloves, goggles and adequate ventilation. Store in a cool, dry place away from oxidants and strong bases. SDS available on request.
