Identifikatoren & physikalische Daten
| CAS No. | 90-42-6 |
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| Summenformel | C12H20O |
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| Durchschnittliche Molmasse | 180,29 g/mol |
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| Monoisotopische Masse | 180,15141526 g/mol |
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| SMILES | O=C1CCCCC1C1CCCCC1 |
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| InChIKey | UOBQDYFTAJKQAL-UHFFFAOYSA-N |
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| PubChem CID | 7016 |
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| ChEMBL | CHEMBL3183461 |
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| EC No. | 201-991-4 |
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| DTXSID | DTXSID8047424 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
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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 | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 180 |
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| Stoffklassen | Other Classes -> Aromatic Ketones |
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| Duftstoffe | Fragrance Ingredient (2-Cyclohexylcyclohexanone) -> IFRA transparency List |
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| Physical Description | Liquid[MSDSonline] |
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Sicherheit & Vorschriften
| GHS-Einstufung | H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 259 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: [1,1'-Bicyclohexyl]-2-one[1,1'-Bicyclohexyl]-2-one: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
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| Gefahrenübersicht | Causes abnormal liver function test results in 60 day rat feeding experimentsAtaxia and weakness in inhalation studies: TCLo (rat) = 2928.7 mg/m3[RTECS] May cause irritation[MSDSonline] |
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| Hazard Classes and Categories | Aquatic Chronic 2 (100%) |
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| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
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