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2,5-Dimethoxytoluol
1,4-Dimethoxy-2-methylbenzene · Benzene, 1,4-dimethoxy-2-methyl- · 2,5-DIMETHOXYTOLUENE · Toluene, 2,5-dimethoxy- · 2,5-Dimethoxytoluene>2,5-Dimethoxytoluene,99% · 2,5-DIMETHOXYTOLUENE 99% · 2,5-Dimethoxytoluene, 98+% · 2,5-Dimethoxytoluene 98.5%
Identifikatoren & physikalische Daten
| CAS No. | 24599-58-4 |
|---|---|
| Summenformel | C9H12O2 |
| Durchschnittliche Molmasse | 152,19 g/mol |
| Monoisotopische Masse | 152,08372962 g/mol |
| SMILES | COc1ccc(OC)c(C)c1 |
| InChIKey | IQISOVKPFBLQIQ-UHFFFAOYSA-N |
| PubChem CID | 90552 |
| EC No. | 246-343-1 |
| DTXSID | DTXSID5067005 |
| Lokaler Name | 2,5-Dimethoxytoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 114 |
| Schmelzpunkt | 19-21 °C |
| Siedepunkt | 218-220 °C/751 mmHg (lit.) |
| Dichte | 1.049 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.522(lit.) |
| Flammpunkt | 215 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Löslichkeit | PRACTICALLY INSOLUBLE |
| InChI | 1S/C9H12O2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3 |
| InChIKey | IQISOVKPFBLQIQ-UHFFFAOYSA-N |
| SMILES | COc1ccc(OC)c(C)c1 |
| LogP (Verteilungskoeffizient) | 2.636 (est) |
| CAS Datenbank | 24599-58-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,4-dimethoxy-2-methyl-(24599-58-4) |
| EPA chemische Informationen | 2,5-Dimethoxytoluene (24599-58-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1,4-dimethoxy-2-methyl- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29093090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
2,5-Dimethoxytoluol bildet eine farblose, in Wasser unlösliche Flüssigkeit. Die Verbindung wird zur Synthese einiger psychoaktiver Amphetaminderivate verwendet.
Verwenden
2,5-Dimethoxytoluene may be used as a reagent in the synthesis of 2,5-dimethoxy-4-methylbenzaldehyde-7-14C. Its IR spectrum has been used to establish the methyl group migration in the acid catalyzed rearrangement of 4-methoxy-4-methylcyclohexadienone.