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Saccharin sodium

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Saccharin sodium

EINECS 204-886-1
CAS No. 128-44-9 Density
Solubility >=10 g/100 mL at 20 °C in water Melting Point >300 °C
Formula C7H4NNaO3S Boiling Point 438.9 °C at 760 mmHg
Molecular Weight 205.17 Flash Point 219.3 °C
Transport Information Appearance white crystalline powder
Safety 24/25 Risk Codes
Molecular Structure Molecular Structure of 128-44-9 (Saccharinsodium) Hazard Symbols
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;

 

Saccharin sodium Consensus Reports

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 Specification

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:

Preparation of Saccharin Sodium

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.

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