Identifikatoren & physikalische Daten
| CAS No. | 81708-87-4 |
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| Summenformel | C10H18O |
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| Durchschnittliche Molmasse | 154,25 g/mol |
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| Monoisotopische Masse | 154,1357652 g/mol |
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| SMILES | C#CC(C)(O)CCC(C)CC |
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| InChIKey | RCNQUZFTDSPUSO-UHFFFAOYSA-N |
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| PubChem CID | 174244 |
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| EC No. | 617-253-3 |
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| DTXSID | DTXSID60868623 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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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 | 5 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 154 |
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| EPA chemische Informationen | 1-Octyn-3-ol, 3,6-dimethyl- (81708-87-4) |
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Sicherheit & Vorschriften
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.1-Octyn-3-ol, 3,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
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| TSCA-Inventar-Status | TSCA listed |
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