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| CAS No.: | 128-44-9 |
|---|---|
| Name: | Saccharinsodium |
| Article Data: | 8 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C7H4NNaO3S |
| Molecular Weight: | 205.169 |
| Synonyms: | Sodium saccharin;1,2-Benzisothiazol-3(2H)-one,1,1-dioxide, sodium salt (1:1);Saccharine Sodium USP;1,2-Benzisothiazol-3(2H)-one,1,1-dioxide, sodium salt (9CI);1,2-Benzisothiazolin-3-one, 1,1-dioxide, sodiumderiv. (7CI);1,2-Benzisothiazolin-3-one, 1,1-dioxide, sodium salt (8CI);Saccharin, sodium deriv. (6CI);1,2-Benzothiazol-3(2H)-one 1,1-dioxide sodiumsalt;Cristallose;Crystallose;Kristallose;Saxin;Sodium o-benzosulfimide;Sodiumo-sulfobenzimide;Sucram C 150;Sweeta;Sykose;Willosetten;o-Benzoylsulfimide sodium salt; |
| EINECS: | 204-886-1 |
| Density: | N/A |
| Melting Point: | >300 °C |
| Boiling Point: | 438.9 °C at 760 mmHg |
| Flash Point: | 219.3 °C |
| Solubility: | >=10 g/100 mL at 20 °C in water |
| Appearance: | white crystalline powder |
| Hazard Symbols: | N/A |
| Risk Codes: | N/A |
| Safety: | 24/25 |
| Transport Information: | N/A |
| PSA: | 77.94000 |
| LogP: | 1.08240 |
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol at 20 - 22℃; for 6h; | 98% |
| With sodium methylate In methanol for 0.416667h; Inert atmosphere; Reflux; | 92.83% |
| With sodium methylate In methanol | |
| With sodium hydride In tetrahydrofuran at 0 - 20℃; for 1h; | |
| With sodium hydride In tetrahydrofuran at 20℃; for 16h; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| In ethanol at 20℃; | 100% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide | 99% |
| In N,N-dimethyl-formamide at 110℃; | 98% |
| With N,N-dimethyl-formamide |
N,N-diethyl-N',N'-di-n-propyl-N''-n-hexyl-N''-n-octylguanidinium chloride
saccharin sodium salt
N,N-diethyl-N',N'-di-n-propyl-N''-n-hexyl-N''-n-octylguanidinium saccharinate
| Conditions | Yield |
|---|---|
| In water at 60℃; | 99% |
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IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 334.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 22 ,1980,p. 111.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Saccharin sodium (CAS NO.128-44-9) is also called Sodium 1,2-Benzisothiasolin-3-one-1,1-dioxide and 1,2-Benzisothiazol-3(2H)-one 1,1-dioxide sodium salt .It is the solid form of the artificial sweetener saccharin. Saccharin is non-nutritive and is used to add sweetness to beverages and foods without the calories or detrimental effects of consuming sugar. Like many other salts, it dissociates into its component parts when dissolved in water.
Physical properties about Saccharin sodium are: (1)ACD/LogP: 0.464; (2)ACD/LogD (pH 5.5): -2.98; (3)ACD/LogD (pH 7.4): -3.04; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Flash Point: 219.3 °C; (11)Enthalpy of Vaporization: 73.34 kJ/mol; (12)Boiling Point: 438.9 °C at 760 mmHg; (13)Vapour Pressure: 1.77E-08 mmHg at 25°C
Preparation of Saccharin sodium: Saccharin sodium can be produced in various ways. The original route by Remsen & Fahlberg starts with toluene; another route begins with o-chlorotoluene. Sulfonation sodium by chlorosulfonic acid gives the ortho and para substituted sulfonyl chlorides. The ortho isomer is separated and converted to the sulfonamide with ammonia. Oxidation of the methyl substituent gives the carboxylic acid, which cyclicizes to give saccharin free acid:
Uses of Saccharin sodium: In addition to the little packets found in dishes on restaurant table tops, Saccharin sodium is customarily used in canned fruit, flavored gelatin, dessert toppings, diet sodas, baked goods, jams, chewing gum, candy, and salad dressings. Unlike aspartame, sodium saccharin is heat stable so it can be used in cooking and baking without losing sweetness.
You can still convert the following datas into molecular structure:
(1)InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1;
(2)InChIKey=WINXNKPZLFISPD-UHFFFAOYSA-M;
(3)Smilesc12c(C(=O)[NH-]S1(=O)=O)cccc2.[Na+];
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 6gm/kg (6000mg/kg) | United States Patent Document. Vol. #4869913, | |
| mouse | LD50 | oral | 17500mg/kg (17500mg/kg) | Food and Cosmetics Toxicology. Vol. 6, Pg. 313, 1968. | |
| mouse | LDLo | subcutaneous | 7gm/kg (7000mg/kg) | Yakkyoku. Pharmacy. Vol. 32, Pg. 1367, 1981. | |
| rabbit | LDLo | oral | 4gm/kg (4000mg/kg) | Yakkyoku. Pharmacy. Vol. 32, Pg. 1367, 1981. | |
| rat | LD50 | intraperitoneal | 7100mg/kg (7100mg/kg) | Food and Cosmetics Toxicology. Vol. 6, Pg. 313, 1968. | |
| rat | LD50 | oral | 14200mg/kg (14200mg/kg) | Food and Cosmetics Toxicology. Vol. 6, Pg. 313, 1968. |
