Pharmaceuticals (CAS 81-07-2) — formula C7H5NO3S, molecular weight 183.19.
Documented applications: Uses: Used as a non-nutritive sweetener, pharmaceutic aid (flavor), and in electroplating-bath brighteners, [Merck Index] Used as a cattle feed additive and in tobacco processing, [HSDB] Permitted for use as an inert ingredient in non-food pesticide products, [EPA], Electroplating [Category: Plate], Farming (Feed Additives) [Category: Industry], Non-nutritive sweetener, pharmaceutic aid (flavor). In formulations for electroplating-bath brighteners, A sweetening agent in Aromatic Cascara Sagrada Fluid extract and highly alcoholic preparations. ... It is used as a sweetening agent in vehicles, canned foods, and beverages and in diets for diabetics to replace sucrose., Add sweetness with or without the extra calories ..., in, beverages, baked goods, confections, table-top sugar, substitutes, many processed foods, NON-CALORIC SYNTHETIC SWEETENER IN TABLETS, LIQ PRODUCTS, SOFT DRINKS, DIETETIC FOODS, MISC PHARMACEUTICALS, CHEWING GUM, TOOTH PASTE, SMOKELESS TOBACCO PRODUCTS, ELECTROPLATING BATH ADDITIVE, CATTLE FEED ADDITIVE, ANTISEPTIC (FORMER USE), PRESERVATIVE TO RETARD FERMENTATION OF FOOD (FORMER USE)., Saccharin has been used in the sweetening of pharmaceutical tablets and in processing of tobacco., Use Classification: Fragrance Ingredients, Food Additives -> SWEETENER -> JECFA Functional Classes, Environmental transformation -> Pesticide transformation products (metabolite, successor), Cosmetics -> Masking, Oral care, Consumer Uses: Not Known or Reasonably Ascertainable, Household Products: Information on 2 consumer products that contain Saccharin in the following categories is provided:, • Home Maintenance, • Personal Care, Methods of Manufacturing: In most countries, commercial saccharin is produced by the Remsen-Fahlberg process ... Toluene is used as the starting material and reacted with chlorosulfonic acid to a mixture of isomeric toluene sulfochlorides. In the presence of ammonia, 2-toluene sulfochloride forms 2-toluene sulfonic acid amide which is oxidized under appropriate conditions to saccharin. Potential oxidizing agents are potassium permanganate or chromic acid., In the United States, the Maumee process is used. This starts from either anthranilic acid or its methyl ester, which can be obtained from phthalic acid anhydride. With sodium nitrite, anthranilic acid forms a diazonium compound, which is reacted with sulfur dioxide or sulfites, and chlorinated to 2-chlorosulfonylbenzoic acid methyl ester. In the presence of ammonia, this ester yields the respective amide, from which, after de-esterification, saccharin is obtained. Reaction with sodium hydroxide or calcium hydroxide forms the respective saccharin salts., Saccharin is dissolved in an equimolar quantity of aqueous sodium hydroxide, and the solution is concentrated to crystallization., Saccharin sodium, Saccharin is reacted with a semimolar quantity of calcium hydroxide in aqueous medium, and the resulting solution is concentrated to crystallization., Saccharin calcium, A mixture of toluenesulfonic acids is converted into the sodium salt then distilled with phosphorus trichloride and chlorine to obtain the o-toluene sulfonyl chloride which, by means of ammonia, is converted into o-toluenesulfamide. This is oxidized with permanganate, treated with acid, and saccharin crystallized out., Impurities: o- & p-Toluenesulfonamide, 1, 2-benzisothiazol-1, 1-dioxide, 2-benzisothiazoline-1, 3-aminobenzisothazol-1, 5- & 6-chlorosaccharin, ammonium saccharin, methyl saccharin, diphenyl sulfone, ditolylsulphone isomers, o- & p-sulfamoylbenzoic acid, o-chlorobenzoic acid, o-sulfobenzoic acid (& ammonium salt), n-tetracosane, bis(4-carboxyphenyl)sulfone, toluene-2, 4-disulfonamide, saccharin-o-toluenesulfonamide, saccharin-6-sulfonamide, N-methyl-o-toluene-sulfonamide, methyl-o-chlorobenzoate, 4, 4'-dibenzoylsulfone, 2- or 3-carboxy thiaxanthone-5-dioxide, o-sulfobenzamide, methyl-o-sulfamoylbenzoate, methyl-N-methylsulfamoylbenzoate, saccharin-o-toluenesulfoxylimide, & other, Reported impurities in saccharin & sodium saccharin, Formulations, Preparations: Grades: Commercial, CP, Chemically pure: A grade designation signifying a minimum of impurities, but not 100% pure, USP, United States Pharmacopeia, FCC, Food Chemicals Codex, ., Sodium saccharin FCC (Food Chemicals Codex) is available in the USA in four grades: spray-dried, containing 3.0% moisture, powder, containing 5.0-5.8% moisture, pelletized, containing 10.5-11.5% moisture, and granular, containing 14.0-15.0% moisture. Each of these grades meets or exceeds the following Food Chemicals Codex specifications: 98-101% active ingredient on an anhydrous basis, 3-15% water, 100 mg, kg toluenesulphonamides, 30 mg, kg selenium, 10 mg, kg heavy metals (as lead) and 3 mg, kg arsenic., Sodium saccharin, Trade Names: Assugrin vollsuss (also contains sodium cyclamate), Garantose, Glucid, Gluside, Hermesetas, Kandiset, Natreen (also contains sodium cyclamate), Sacarina, 550 Saccharin, Saccharina, Saccharinol, Saccharinose, Saccharol, Saxin, Sucre Edulcor, Sucrette, Sykose, Zaharina., Available in the USA as saccharin insoluble powder FCC (Food Chemicals Codex): 98-101% active ingredient on an anhydrous basis, a maximum of 100 mg, kg heavy metals (as lead) & 3 mg, kg arsenic ... Available in the USA as a USP grade containing 98-101% active ingredient on an anhydrous basis., Consumption Patterns: Global consumption (1000 tons): 37, The USA consumption pattern for saccharin (all forms) in 1976 has been estimated as follows: 77% in food uses: 45% in soft drinks, 18% in 'tabletop' sweetener, and 14% in other foods such as fruits, premixes, juices, sweets, chewing gum and jellies, and 23% in nonfood items: 10% in cosmetics such as toothpaste, mouthwash and lipstick, 7% in pharmaceuticals such as coatings on pills, 2% in smokeless tobacco products such as chewing tobacco and snuff, 2% in electroplating, 1% in cattle feed and 1% i.
Pharmaceuticals is a chemical compound with CAS registry number 81-07-2 and molecular formula C7H5NO3S (molecular weight 183.19).
CAS number: 81-07-2
Its molecular formula C7H5NO3S comprises 7 C, 5 H, 1 N, 3 O, 1 S atoms.
Also known as: Pharmaceuticals · Saccharin
The CAS registry number of Pharmaceuticals is 81-07-2.
Molecular formula C7H5NO3S, molecular weight 183.19.
It is also registered under: Pharmaceuticals, Saccharin.
Recorded applications: Uses: Used as a non-nutritive sweetener, pharmaceutic aid (flavor), and in electroplating-bath brighteners, [Merck Index] Used as a cattle feed additive and in tobacco processing, [HSDB] Permitted for use as an inert ingredient in non-food pesticide products, [EPA], Electroplating [Category: Plate], Farming (Feed Additives) [Category: Industry], Non-nutritive sweetener, pharmaceutic aid (flavor). In formulations for electroplating-bath brighteners, A sweetening agent in Aromatic Cascara Sagrada Fluid extract and highly alcoholic preparations. ... It is used as a sweetening agent in vehicles, canned foods, and beverages and in diets for diabetics to replace sucrose., Add sweetness with or without the extra calories ..., in, beverages, baked goods, confections, table-top sugar, substitutes, many processed foods, NON-CALORIC SYNTHETIC SWEETENER IN TABLETS, LIQ PRODUCTS, SOFT DRINKS, DIETETIC FOODS, MISC PHARMACEUTICALS, CHEWING GUM, TOOTH PASTE, SMOKELESS TOBACCO PRODUCTS, ELECTROPLATING BATH ADDITIVE, CATTLE FEED ADDITIVE, ANTISEPTIC (FORMER USE), PRESERVATIVE TO RETARD FERMENTATION OF FOOD (FORMER USE)., Saccharin has been used in the sweetening of pharmaceutical tablets and in processing of tobacco., Use Classification: Fragrance Ingredients, Food Additives -> SWEETENER -> JECFA Functional Classes, Environmental transformation -> Pesticide transformation products (metabolite, successor), Cosmetics -> Masking, Oral care, Consumer Uses: Not Known or Reasonably Ascertainable, Household Products: Information on 2 consumer products that contain Saccharin in the following categories is provided:, • Home Maintenance, • Personal Care, Methods of Manufacturing: In most countries, commercial saccharin is produced by the Remsen-Fahlberg process ... Toluene is used as the starting material and reacted with chlorosulfonic acid to a mixture of isomeric toluene sulfochlorides. In the presence of ammonia, 2-toluene sulfochloride forms 2-toluene sulfonic acid amide which is oxidized under appropriate conditions to saccharin. Potential oxidizing agents are potassium permanganate or chromic acid., In the United States, the Maumee process is used. This starts from either anthranilic acid or its methyl ester, which can be obtained from phthalic acid anhydride. With sodium nitrite, anthranilic acid forms a diazonium compound, which is reacted with sulfur dioxide or sulfites, and chlorinated to 2-chlorosulfonylbenzoic acid methyl ester. In the presence of ammonia, this ester yields the respective amide, from which, after de-esterification, saccharin is obtained. Reaction with sodium hydroxide or calcium hydroxide forms the respective saccharin salts., Saccharin is dissolved in an equimolar quantity of aqueous sodium hydroxide, and the solution is concentrated to crystallization., Saccharin sodium, Saccharin is reacted with a semimolar quantity of calcium hydroxide in aqueous medium, and the resulting solution is concentrated to crystallization., Saccharin calcium, A mixture of toluenesulfonic acids is converted into the sodium salt then distilled with phosphorus trichloride and chlorine to obtain the o-toluene sulfonyl chloride which, by means of ammonia, is converted into o-toluenesulfamide. This is oxidized with permanganate, treated with acid, and saccharin crystallized out., Impurities: o- & p-Toluenesulfonamide, 1, 2-benzisothiazol-1, 1-dioxide, 2-benzisothiazoline-1, 3-aminobenzisothazol-1, 5- & 6-chlorosaccharin, ammonium saccharin, methyl saccharin, diphenyl sulfone, ditolylsulphone isomers, o- & p-sulfamoylbenzoic acid, o-chlorobenzoic acid, o-sulfobenzoic acid (& ammonium salt), n-tetracosane, bis(4-carboxyphenyl)sulfone, toluene-2, 4-disulfonamide, saccharin-o-toluenesulfonamide, saccharin-6-sulfonamide, N-methyl-o-toluene-sulfonamide, methyl-o-chlorobenzoate, 4, 4'-dibenzoylsulfone, 2- or 3-carboxy thiaxanthone-5-dioxide, o-sulfobenzamide, methyl-o-sulfamoylbenzoate, methyl-N-methylsulfamoylbenzoate, saccharin-o-toluenesulfoxylimide, & other, Reported impurities in saccharin & sodium saccharin, Formulations, Preparations: Grades: Commercial, CP, Chemically pure: A grade designation signifying a minimum of impurities, but not 100% pure, USP, United States Pharmacopeia, FCC, Food Chemicals Codex, ., Sodium saccharin FCC (Food Chemicals Codex) is available in the USA in four grades: spray-dried, containing 3.0% moisture, powder, containing 5.0-5.8% moisture, pelletized, containing 10.5-11.5% moisture, and granular, containing 14.0-15.0% moisture. Each of these grades meets or exceeds the following Food Chemicals Codex specifications: 98-101% active ingredient on an anhydrous basis, 3-15% water, 100 mg, kg toluenesulphonamides, 30 mg, kg selenium, 10 mg, kg heavy metals (as lead) and 3 mg, kg arsenic., Sodium saccharin, Trade Names: Assugrin vollsuss (also contains sodium cyclamate), Garantose, Glucid, Gluside, Hermesetas, Kandiset, Natreen (also contains sodium cyclamate), Sacarina, 550 Saccharin, Saccharina, Saccharinol, Saccharinose, Saccharol, Saxin, Sucre Edulcor, Sucrette, Sykose, Zaharina., Available in the USA as saccharin insoluble powder FCC (Food Chemicals Codex): 98-101% active ingredient on an anhydrous basis, a maximum of 100 mg, kg heavy metals (as lead) & 3 mg, kg arsenic ... Available in the USA as a USP grade containing 98-101% active ingredient on an anhydrous basis., Consumption Patterns: Global consumption (1000 tons): 37, The USA consumption pattern for saccharin (all forms) in 1976 has been estimated as follows: 77% in food uses: 45% in soft drinks, 18% in 'tabletop' sweetener, and 14% in other foods such as fruits, premixes, juices, sweets, chewing gum and jellies, and 23% in nonfood items: 10% in cosmetics such as toothpaste, mouthwash and lipstick, 7% in pharmaceuticals such as coatings on pills, 2% in smokeless tobacco products such as chewing tobacco and snuff, 2% in electroplating, 1% in cattle feed and 1% i.
Public-database records for Pharmaceuticals (CAS 81-07-2), reproduced here for independent cross-checking.
| GHS notification summary | 97% (549 / 566) |
|---|
This chemical does not meet GHS hazard criteria for 97% (549 of 566) of all reports.
Reported as not meeting GHS hazard criteria by 549 of 566 companies (only 3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
| Regulatory & Food Contact | FDA Substance added to food: NON-NUTRITIVE SWEETENER SWEETENER: Food Additives JECFA ADI: 0-5 mg/kg bw GROUP ADI FOR SACCHARIN AND ITS CALCIUM, POTASSIUM AND SODIUM SALTS TRS 837-JECFA 41/17 FAS 32-JECFA 41/105 |
|---|---|
| GHS notification summary | 97% (549 / 566) |
| 熔点 | 228 °C decomposes |
|---|---|
| 熔点 | 224 °C |
| 溶解度 | 4 mg/mL at 25 °C |
| 密度 | 0.828 g/cu cm at 25 °C |
| 蒸气压 | 0.00000064 [mmHg] |
| LogP | log Kow = 0.91 |
| LogP | 0.91 |
| LogP | 0.44 |
| Ionization Efficiency | 0.22 |
| Ionization Efficiency | 2.7 |
| CAS Registry Number | 81-07-2 |
|---|---|
| PubChem CID | 5143 |
| 分子式 | C7H5NO3S |
| IUPAC 名称 | 1,1-dioxo-1,2-benzothiazol-3-one |
| UNII（FDA） | FST467XS7D |
saccharin; 81-07-2; o-Benzoic sulfimide; o-Sulfobenzimide; Saccharine; Saccharimide; Benzosulfimide; Garantose; o-Benzosulfimide; Benzoic sulfimide; Benzosulphimide; Saccharinol; Saccharinose; Saccharin insoluble; Benzosulfinide; Hermesetas
| 分子量 | 183.19 |
|---|---|
| XLogP3 | 0.9 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 0 |
| 精确质量 | 182.99901420 |
| 单同位素质量 | 182.99901420 |
| 拓扑极性表面积 | 71.6 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
Pharmaceuticals · CAS 81-07-2 · C7H5NO3S. UNII FST467XS7D. 熔点: 228 °C decomposes; 熔点: 224 °C; 溶解度: 4 mg/mL at 25 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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