Identifikatoren & physikalische Daten
| CAS No. | 92-51-3 |
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| Summenformel | C6.H11.C6.H11 |
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| Durchschnittliche Molmasse | 166,3 g/mol |
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| Monoisotopische Masse | 166,1721507 g/mol |
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| SMILES | C1CCC(C2CCCCC2)CC1 |
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| InChIKey | WVIIMZNLDWSIRH-UHFFFAOYSA-N |
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| PubChem CID | 7094 |
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| ChEMBL | CHEMBL1231413 |
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| EC No. | 202-161-4 |
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| DTXSID | DTXSID8021802 |
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Chemische & physikalische Eigenschaften
| XLogP | 5,7 |
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| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 0 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 100 |
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| Stoffklassen | Other Classes -> Aliphatics, Saturated (>C11) |
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| SpringerMaterials Properties | Schoenflies notation |
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| Dichte | 0.864 @25 °C0.8797 g/cm3 |
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| Siedepunkt | 227 °C @760 [mm Hg]238 °C |
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| Dampfdruck | 0.1 [mmHg] |
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| Physical Description | Colorless liquid[MSDSonline] |
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| Schmelzpunkt | 4 °C |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH304 (58.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P273, P301+P316, P331, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 182 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Gefahrenübersicht | May cause irritation[MSDSonline] |
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| Hazard Classes and Categories | Asp. Tox. 1 (58.8%) |
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| Lower Explosive Limit (LEL) | 7000 [ppm] |
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| Protective Action Criteria (PAC) | 20 [mg/m3]220 [mg/m3]1300 [mg/m3] |
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