Identifikatoren & physikalische Daten
| CAS No. | 41802-13-5 |
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| Summenformel | C14H26O |
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| Durchschnittliche Molmasse | 210,36 g/mol |
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| Monoisotopische Masse | 210,19836545 g/mol |
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| SMILES | CC(C)(C)C1CCCC(C(C)(C)C)C1=O |
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| InChIKey | BTNIGSUBTBPFBN-UHFFFAOYSA-N |
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| PubChem CID | 228973 |
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| EC No. | 684-283-1 |
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| DTXSID | DTXSID10281626 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 215 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 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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