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1,2-Benzisothiazol-3(2H)-on-1,1-dioxid, Natriumsalz
SODIUM SACCHARIN · SACCHARIN SODIUM SALT · SACCHARINE SODIUM · 204-886-1 · sodium dihydrate · o-sulfonbenzoicacidimidesodiumsalt · sucra · Saccharin sodium Anhydrous
Identifikatoren & physikalische Daten
| CAS No. | 128-44-9 |
|---|---|
| Summenformel | C7H4NNaO3S |
| Durchschnittliche Molmasse | 205,17 g/mol |
| Monoisotopische Masse | 204,98095827 g/mol |
| SMILES | O=C1[N-]S(=O)(=O)c2ccccc21.[Na+] |
| InChIKey | WINXNKPZLFISPD-UHFFFAOYSA-M |
| PubChem CID | 656582 |
| ChEMBL | CHEMBL2105416 |
| ChEBI | CHEBI:32112 |
| EC No. | 204-886-1 |
| DTXSID | DTXSID5021253 |
| Lokaler Name | 1,2-Benzisothiazol-3(2H)-on-1,1-dioxid, Natriumsalz |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 60,6 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 308 |
| Stoffklassen | Other Uses -> Food Additives |
| Kosmetika | Oral careMasking |
| Duftstoffe | Fragrance Ingredient (Saccharine, sodium salt) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | ANTIMICROBIAL AGENT, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NON-NUTRITIVE SWEETENER, SOLVENT OR VEHICLE -> FDA Substance added to food |
| Löslichkeit | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)H2O: 1 M at 20 °C, clear, colorlesssparingly soluble in ethanol.>=10 g/100 mL at 20 ºC |
| Animal Drugs | Pharmaceuticals -> UK Veterinary Medicines Directorate List |
| Schmelzpunkt | greater than 572 °F (Decomposes) (NTP, 1992)>300°C |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFRFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Physical Description | Saccharin, sodium salt appears as odorless white crystals or crystalline powder. Aqueous solution is neutral or alkaline to litmus, but not alkaline to phenolphthalein. Effloresces in dry air. Intensely sweet taste. (NTP, 1992)Dry PowderLiquidOther SolidWhite odorless solidEffloresces in dry air[CAMEO] White odorless crystals[Mallinckrodt Baker MSDS] |
| Dichte | 1.69[at 20℃] |
| Dampfdruck | 0Pa at 25℃ |
| FEMA | 2997 | SACCHARINE, SODIUM SALT |
| Lagerbedingungen | 0-6°C |
| pKa (Säurekonstante) | 0.003-0.003[at 20 ℃] |
| Aggregatzustand | Solid |
| Farbe | White crystals or a white, crystalline efflorescent powder |
| Geruch | odourless or with a faint, aromatic odour |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | pharmaceutical (small molecule) |
| Kosmetik-Inhaltsstoffe Funktionen | FLAVOURINGFRAGRANCEORAL CARE |
| InChI | 1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9,10,11)/q+1/p-1 |
| InChIKey | WINXNKPZLFISPD-UHFFFAOYSA-M |
| SMILES | [Na+].[S]1(=NC(=O)c2c1cccc2)(=O)[O-] |
| LogP (Verteilungskoeffizient) | -2.84-0.11 at 25℃ |
| CAS Datenbank | 128-44-9(CAS DataBase Reference) |
| EPA chemische Informationen | Saccharin sodium (128-44-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 95.6% (328 of 343) of all reports.Not ClassifiedAggregated GHS information provided per 343 reports by companies from 9 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt (1:1)Regulation (EC) No 1831/2003 (amended)1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.Status: Active Update: 29-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14605Sodium saccharin: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Brandgefahren | Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of ingestion of this compound include nausea, vomiting and diarrhea. It may also cause anorexia. Inhalation may result in coughing and sneezing. |
| Gefahrenübersicht | Causes changes in psychophysiological tests in acute oral studies of monkeysCauses kidney and bladder changes in 36-week constant oral studies of rats[RTECS] Usually contains about 5% water[NTP] Acceptable daily intake (ADI) of 0-5 mg/kg[JECFA] The dihydrate is CAS# 6155-57-3Contains 5-6% waterMay cause mechanical eye irritation[Mallinckrodt Baker MSDS] |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
Anwendungen & Verwendung
Verwenden
Saccharin Sodium is a flavoring agent and non-nutritive sweetener. It is a salt of saccharin widely used as sweetener in food and beverage. As a high-intensity sweetener, Saccharin Sodium can be used in a wide variety of industries including: food production, beverage, cosmetics, agriculture/animal feed, and various other industries. Saccharin Sodium Salt Hydrate can be used for the purification of recombinant polypeptides, such as antibodies.