Identifikatoren & physikalische Daten
| CAS No. | 26444-19-9 |
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| Summenformel | C9H10O |
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| Durchschnittliche Molmasse | 134,17 g/mol |
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| Monoisotopische Masse | 134,07316494 g/mol |
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| SMILES | CC(=O)c1ccccc1C |
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| InChIKey | YXWWHNCQZBVZPV-UHFFFAOYSA-N |
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| PubChem CID | 11340 |
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| ChEBI | CHEBI:145958 |
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| EC No. | 209-408-5 |
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| DTXSID | DTXSID501015360 |
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| Lokaler Name | 1-(Methylphenyl)ethan-1-on |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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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 | 10 |
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| Formalladung | 0 |
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| Komplexität | 129 |
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| Stoffklassen | Other Classes -> Aromatic Ketones |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 1.023-1.029 |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | Practically insoluble or insoluble in waterSoluble (in ethanol) |
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| Siedepunkt | 214.00 °C. @ 760.00 mm Hg213-215 °C95-120 °C(Press: 15 Torr) |
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| Brechungsindex | 1.526-1.532 |
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| Physical Description | Colorless liquid[Alfa Aesar MSDS]Colourless to pale yellow liquidNutty coconut aroma |
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| EPA chemische Informationen | Ethanone, 1-(methylphenyl)- (26444-19-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1375 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Ethanone, 1-(2-methylphenyl)-Chemical: Ethanone, 1-(methylphenyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Ethanone, 1-(2-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] See Acetophenone. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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