HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 12135713Erstellt: 27. Oktober 2026
Octanethioic acid, S-(3-(triethoxysilyl)propyl) ester
NXT · NXT Silane · DK673 · DK969 · DKSI219 · A-Link 599 · DKFELEX0167 · NXTmomentive
https://huagongshe.com/de/chemical/12135713
Identifikatoren & physikalische Daten
| CAS No. | 220727-26-4 |
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| Summenformel | C17H36O4SSi |
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| Durchschnittliche Molmasse | 364,6 g/mol |
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| Monoisotopische Masse | 364,21035716 g/mol |
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| SMILES | CCCCCCCC(=O)SCCC[Si](OCC)(OCC)OCC |
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| InChIKey | JPPLPDOXWBVPCW-UHFFFAOYSA-N |
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| PubChem CID | 12135713 |
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| DTXSID | DTXSID00889135 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 70,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 17 |
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| Schwere Atome | 23 |
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| Formalladung | 0 |
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| Komplexität | 273 |
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| Physical Description | Liquid |
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| Siedepunkt | 390.2±25.0 °C(Predicted) |
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| Dichte | 0,969 g/cm3 |
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| Dampfdruck | 0.002Pa at 25℃ |
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| Brechungsindex | 1.4515 |
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| Flammpunkt | 176°C |
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| Wichte | 0.9686 |
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| Löslichkeit | 536μg/L at 20℃ |
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| InChI | InChI=1S/C17H36O4SSi/c1-5-9-10-11-12-14-17(18)22-15-13-16-23(19-6-2,20-7-3)21-8-4/h5-16H2,1-4H3 |
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| InChIKey | JPPLPDOXWBVPCW-UHFFFAOYSA-N |
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| SMILES | C(SCCC[Si](OCC)(OCC)OCC)(=O)CCCCCCC |
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| LogP (Verteilungskoeffizient) | 4.2 at 20℃ |
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| EPA chemische Informationen | Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester (220727-26-4) |
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Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Octanethioic acid, S-[3-(triethoxysilyl)propyl] esterOctanethioic acid, S-[3-(triethoxysilyl)propyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
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| TSCA-Inventar-Status | TSCA listed |
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