HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Ethyl-4-methoxybenzene
1-ETHYL-4-METHOXYBENZENE · Benzene, 1-ethyl-4-methoxy- · 1-methoxy-4-ethyl-benzene · 1-ethyl-4-methoxycyclohexane · p-Ethylanisol · P-ETHYLANISOLE · 4-Ethylanisole · 4-Ethylanisole>Anisole, p-ethyl-
Identifikatoren & physikalische Daten
| CAS No. | 1515-95-3 |
|---|---|
| Summenformel | C9H12O |
| Durchschnittliche Molmasse | 136,19 g/mol |
| Monoisotopische Masse | 136,088815 g/mol |
| SMILES | CCc1ccc(OC)cc1 |
| InChIKey | HDNRAPAFJLXKBV-UHFFFAOYSA-N |
| PubChem CID | 73690 |
| EC No. | 604-805-3 |
| DTXSID | DTXSID80164795 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 82,7 |
| SpringerMaterials Properties | Boiling point |
| Aromastoffe | EU Flavoring substances |
| Siedepunkt | 84 °C6 mm Hg(lit.) |
| Dichte | 0.958 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.508(lit.) |
| Flammpunkt | 175 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Wichte | 0.96 |
| Geruch | at 10.00%indipropylene glycol. anise |
| Löslichkeit | Soluble in alcohol. Insoluble in water. |
| BRN | 774365 |
| LogP (Verteilungskoeffizient) | 3.125 (est) |
| CAS Datenbank | 1515-95-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, 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. |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012) |
| Hazard Classes and Categories | Flam. Liq. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29093090 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
It can be used the synthesis of 1-Methoxy-4-ethyl-1,4-cyclohexadiene. It is also applied in the ligand-assisted, copper-catalyzed enantioselective benzylic amination.