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2,6-Dimethoxytoluol
1,3-Dimethoxy-2-methylbenzene · 2,6-DimethoxytoL · 2,6-Dimethoxytoluene · 2-methanidylprop-1-ene · 2,6-Dimethoxytoluene>2,6-Dimethoxytoluene,99% · 2,6-dimethoxymethylbenzene · (2,6-Dimethoxyphenyl)methane · 2-Methyl-1,3-dimethoxybenzene
Identifikatoren & physikalische Daten
| CAS No. | 5673-07-4 |
|---|---|
| Summenformel | C9H12O2 |
| Durchschnittliche Molmasse | 152,19 g/mol |
| Monoisotopische Masse | 152,08372962 g/mol |
| SMILES | COc1cccc(OC)c1C |
| InChIKey | FPEUDBGJAVKAEE-UHFFFAOYSA-N |
| PubChem CID | 79755 |
| EC No. | 227-131-8 |
| DTXSID | DTXSID4022230 |
| Lokaler Name | 2,6-Dimethoxytoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 102 |
| LogP (Verteilungskoeffizient) | 2.87 |
| Schmelzpunkt | 39-41 °C (lit.) |
| Siedepunkt | 222 °C |
| Dichte | 1,112g/cm |
| Brechungsindex | 1.5240 (estimate) |
| Flammpunkt | 206 °F |
| Aggregatzustand | powder to crystal |
| Farbe | White or Colorless |
| Löslichkeit | Insoluble in water. |
| BRN | 2045327 |
| InChI | InChI=1S/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3 |
| InChIKey | FPEUDBGJAVKAEE-UHFFFAOYSA-N |
| SMILES | C1(OC)=CC=CC(OC)=C1C |
| LogP (Verteilungskoeffizient) | 2.870 |
| CAS Datenbank | 5673-07-4(CAS DataBase Reference) |
| EPA chemische Informationen | Benzene, 1,3-dimethoxy-2-methyl- (5673-07-4) |
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2909.30.6000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,6-Dimethoxytoluene is used as an organic chemical synthesis intermediate.