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p-Methylpropiophenon
4-METHYLPROPIOPHENONE · 1-(p-Tolyl)propan-1-one · ETHYL-P-TOLYLKETON · P-METHYLPROPIOPHENONE · 4-Methylpropiophenon · LABOTEST-BB LT00053050 · 4-Methyl Propiphenone · P-Methyl phenylethylketone
Identifikatoren & physikalische Daten
| CAS No. | 5337-93-9 |
|---|---|
| Summenformel | C10H12O |
| Durchschnittliche Molmasse | 148,2 g/mol |
| Monoisotopische Masse | 148,088815 g/mol |
| SMILES | CCC(=O)c1ccc(C)cc1 |
| InChIKey | PATYHUUYADUHQS-UHFFFAOYSA-N |
| PubChem CID | 21429 |
| ChEBI | CHEBI:59335 |
| EC No. | 226-267-5 |
| DTXSID | DTXSID00201535 |
| Lokaler Name | p-Methylpropiophenon |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 132 |
| Schmelzpunkt | 7.2 °C |
| Siedepunkt | 238-239 °C(lit.) |
| Dichte | 0.993 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.528(lit.) |
| Flammpunkt | 229 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Soluble in chloroform and hexane. |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Wichte | 0.99 |
| BRN | 2042137 |
| InChI | InChI=1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey | PATYHUUYADUHQS-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C)C=C1)(=O)CC |
| CAS Datenbank | 5337-93-9(CAS DataBase Reference) |
| NIST chemische Informationen | 4'-Methylpropiophenone(5337-93-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H401 (66.7%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propanone, 1-(4-methylphenyl)-Status: Active Update: 20-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17404 |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Skin Sens. 1 (100%)Eye Irrit. 2 (100%)Aquatic Acute 2 (66.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29143990 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4′-Methylpropiophenone is a chemical reagent used in electrocarboxylation reactions.