CAS No 33665-90-6 , 6-methyl-2,2-dioxooxathiazin-4-one

Title: Acesulfame
CAS Registry Number: 33665-90-6
CAS Name: 6-Methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide
Synonyms: 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide; acetosulfam
Molecular Formula: C4H5NO4S
Molecular Weight: 163.15
Percent Composition: C 29.45%, H 3.09%, N 8.59%, O 39.23%, S 19.65%
Literature References: Non-nutritive artificial sweetener. Prepn: K. Clauss, H. Jensen, DE 2001017; eidem, US 3689486 (1971, 1972 to Hoechst); K. Clauss et al., Z. Lebensm.-Unters. Forsch. 162, 37 (1976). Crystal structure: E. F. Paulus, Acta Crystallogr. B31, 1191 (1975). HPLC analysis: H. Grosspietsch, H. Hachenberg, Z. Lebensm.-Unters. Forsch. 171, 41 (1980). Book: Acesulfame-K, D. G. Mayer, F. H. Kemper, Eds. (Marcel Dekker, Inc., New York, 1991) 243 pp.
Properties: Needles from benzene or chloroform, mp 123-123.5°.
Melting point: mp 123-123.5°
 
Derivative Type: Potassium salt
CAS Registry Number: 55589-62-3
Synonyms: Acesulfame-K
Manufacturers' Codes: HOE-095K
Trademarks: Sunette (Hoechst)
Molecular Formula: C4H4KNO4S
Molecular Weight: 201.24
Percent Composition: C 23.87%, H 2.00%, K 19.43%, N 6.96%, O 31.80%, S 15.93%
Properties: Colorless, odorless powder. Dec pt ~225°. d (solid) 1.81 g/cm3; d (bulk) 1.1-1.3 kg/dm3. uv max: 227 nm (e 1.0762′104). Very sol in water, DMF, DMSO. Sol in alc, glycerin-water. Soly in water (g/l): ~150 (0°); ~210 (10°); ~270 (20°); ~360 (30°); ~460 (40°); ~580 (50°); ~830 (70°); ~1300 (100°). Soly at 20° (g/l): methanol ~10; ethanol (anhydrous) ~1; glycerol (anhydrous) ~30; glycerol/water (80:20, v/v) ~82; glycerol/water (50:50, v/v) ~162; acetone ~0.8; glacial acetic acid ~130. Soly at 23° (g/l): ethanol/water (80:20, v/v) ~46; ethanol/water (60:40, v/v) ~100; ethanol/water (40:60, v/v) ~155; ethanol/water (20:80, v/v) ~221. LD50 in rats (mg/kg): 7431 orally, 2243 i.p. (Mayer, Kemper).
Absorption maximum: uv max: 227 nm (e 1.0762′104)
Density: d (solid) 1.81 g/cm3; d (bulk) 1.1-1.3 kg/dm3
Toxicity data: LD50 in rats (mg/kg): 7431 orally, 2243 i.p. (Mayer, Kemper)
 
Use: Potassium salt as sweetener for foods, cosmetics.