HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 415282Erstellt: 27. Oktober 2026
3,3-Diethoxypropanoic acid
RARECHEM AL BO 0407 · 3,3-DIETHOXY-PROPIONIC ACID · Propanoic acid, 3,3-diethoxy-
https://huagongshe.com/de/chemical/415282
Identifikatoren & physikalische Daten
| CAS No. | 6191-97-5 |
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| Summenformel | C7H14O4 |
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| Durchschnittliche Molmasse | 162,18 g/mol |
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| Monoisotopische Masse | 162,08920893 g/mol |
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| SMILES | CCOC(CC(=O)O)OCC |
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| InChIKey | AKTDHHFJFNIILG-UHFFFAOYSA-N |
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| PubChem CID | 415282 |
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| EC No. | 818-386-1 |
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| DTXSID | DTXSID00328918 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
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| Polarare Oberfläche (TPSA) | 55,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 107 |
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| Siedepunkt | 236.7±30.0 °C(Predicted) |
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| Dichte | 1.068±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Store at room temperature |
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| pKa (Säurekonstante) | 3.86±0.10(Predicted) |
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| InChI | InChI=1S/C7H14O4/c1-3-10-7(11-4-2)5-6(8)9/h7H,3-5H2,1-2H3,(H,8,9) |
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| InChIKey | AKTDHHFJFNIILG-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)CC(OCC)OCC |
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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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