Identifikatoren & physikalische Daten
| CAS No. | 19550-30-2 |
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| Summenformel | C6H14O |
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| Durchschnittliche Molmasse | 102,17 g/mol |
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| Monoisotopische Masse | 102,10446507 g/mol |
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| SMILES | CC(C)C(C)CO |
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| InChIKey | SXSWMAUXEHKFGX-UHFFFAOYSA-N |
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| PubChem CID | 29656 |
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| EC No. | 243-153-0 |
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| DTXSID | DTXSID60941324 |
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| Lokaler Name | 2,3-Dimethylbutan-1-ol |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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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 | 2 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 41 |
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| Kovats Retention Index | 823.9825.1835.212901291 |
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| Schmelzpunkt | -48.42°C (estimate) |
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| Siedepunkt | 141.85°C |
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| Dichte | 0.8255 |
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| Brechungsindex | 1.4185 |
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| pKa (Säurekonstante) | 15.01±0.10(Predicted) |
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| Henry-Konstante | 1.7×10-1 mol/(m3Pa) at 25℃, Wang et al. (2017) |
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| CAS Datenbank | 19550-30-2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: 1-Butanol, 2,3-dimethyl- |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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