HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3720192Erstellt: 27. Oktober 2026
Natriumtoluolsulfonat
SODIUM 4-TOLUENESULFONATE · pilotsts32 · eltesolst90 · eltesolst34 · NAXONATE ST · NAXONATE 4ST · cyclophilsts70 · Tofacitib impurity 25
https://huagongshe.com/de/chemical/3720192
Identifikatoren & physikalische Daten
| CAS No. | 12068-03-0 |
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| Summenformel | C7H7NaO3S |
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| Durchschnittliche Molmasse | 194,19 g/mol |
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| Monoisotopische Masse | 194,00135936 g/mol |
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| SMILES | Cc1ccc(S(=O)(=O)[O-])cc1.[Na+] |
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| InChIKey | KVCGISUBCHHTDD-UHFFFAOYSA-M |
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| PubChem CID | 3720192 |
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| ChEMBL | CHEMBL3186382 |
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| EC No. | 235-088-1 |
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| DTXSID | DTXSID9042415 |
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| Lokaler Name | Natriumtoluolsulfonat |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 65,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 211 |
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| Kosmetika | Cosmetic ingredients (Sodium Toluenesulfonate) -> CIR (Cosmetic Ingredient Review)HydrotropeSurfactant |
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| Kosmetik-Inhaltsstoffe Funktionen | SURFACTANT - HYDROTROPESURFACTANT - CLEANSING |
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| InChI | InChI=1S/C7H8O3S.Na/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/q+1/p-1 |
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| InChIKey | KVCGISUBCHHTDD-UHFFFAOYSA-M |
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| SMILES | S([O-])(=O)(=O)C1C=CC(C)=CC=1.[Na+] |
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| LogP (Verteilungskoeffizient) | 0.930 (est) |
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| CAS Datenbank | 12068-03-0(CAS DataBase Reference) |
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| EPA chemische Informationen | Sodium toluenesulfonate (12068-03-0) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 29.4% (42 of 143) of reports.DangerH315 (32.9%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 143 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Benzenesulfonic acid, methyl-, sodium saltBenzenesulfonic acid, methyl-, sodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Weitere Sicherheitsinformationen | IMAP assessments - Benzenesulfonic acid, methyl-, sodium salt: Environment tier I assessment |
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| EPA Safer Chemical | Chemical: Sodium toluenesulfonate |
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| Hazard Classes and Categories | Skin Irrit. 2 (32.9%) |
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| Toxizitätsübersicht | Sodium Toluenesulfonate ... safe as cosmetic ingredient in the present practice of use and concentration as described in this safety assessment, when formulated to be nonirritatingSafe for use in cosmetics, with qualifications |
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| Wassergefährdungsklasse (WGK) | 1 |
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| TSCA-Inventar-Status | TSCA listed |
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| RTECS-Nr. | XT7350000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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