HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 19085957Erstellt: 2. November 2026
2-(Methylsulfonyl)propanoic acid
2-methanesulfonylpropanoic acid · Propanoic acid, 2-(methylsulfonyl)-
https://huagongshe.com/de/chemical/19085957
Identifikatoren & physikalische Daten
| CAS No. | 809280-27-1 |
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| Summenformel | C4H8O4S |
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| Durchschnittliche Molmasse | 152,17 g/mol |
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| Monoisotopische Masse | 152,01432991 g/mol |
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| SMILES | CC(C(=O)O)S(C)(=O)=O |
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| InChIKey | RBKUOSVTNSIAAB-UHFFFAOYSA-N |
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| PubChem CID | 19085957 |
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| EC No. | 854-984-9 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
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| Polarare Oberfläche (TPSA) | 79,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 197 |
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| Schmelzpunkt | 96.6 °C |
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| Siedepunkt | 386.5±25.0 °C(Predicted) |
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| Dichte | 1.375±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.49±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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