Identifikatoren & physikalische Daten
| CAS No. | 33711-43-2 |
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| Summenformel | C14H24O |
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| Durchschnittliche Molmasse | 208,34 g/mol |
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| Monoisotopische Masse | 208,18271539 g/mol |
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| SMILES | CC1C(C)(C)C2=C(C(O)CCC2)C1(C)C |
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| InChIKey | TYCUOMHJQBSOBZ-UHFFFAOYSA-N |
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| PubChem CID | 14817841 |
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| EC No. | 801-670-4 |
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| DTXSID | DTXSID00564374 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 309 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P273, P319, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 11 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 | STOT RE 2 (100%) |
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