Identifikatoren & physikalische Daten
| CAS No. | 565-61-7 |
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| Summenformel | C6H12O |
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| Durchschnittliche Molmasse | 100,16 g/mol |
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| Monoisotopische Masse | 100,088815 g/mol |
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| SMILES | CCC(C)C(C)=O |
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| InChIKey | UIHCLUNTQKBZGK-UHFFFAOYSA-N |
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| PubChem CID | 11262 |
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| ChEMBL | CHEMBL3182903 |
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| ChEBI | CHEBI:195650 |
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| EC No. | 209-282-1 |
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| DTXSID | DTXSID4021634 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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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 | 2 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 66,6 |
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| Lipide | Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12] |
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| Solvents | Solvents -> Ketones (<C12) |
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| SpringerMaterials Properties | Boiling point |
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| Aromastoffe | EU Flavoring substances |
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| Dampfdruck | 11.6 [mmHg] |
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| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
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| Siedepunkt | 118 °C |
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| Dichte | 0.8145 g/cm3(Temp: 15 °C) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 125 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: 2-Pentanone, 3-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 16-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/112422-Pentanone, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | An irritant[Alfa Aesar MSDS] See Methyl isobutyl ketone. |
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| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
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| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H225 |
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