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2,3-Dimethylanisol
1-Methoxy-2,3-dimethylbenzene · 3-METHOXY-O-XYLENE · 2,3-DIMETHYLANISOLE · 2,3-Dimethylanisole>2,3-DIMETHYLANISOLE 97% · 2,3-Dimethylanisole,97% · 1,2-Dimethyl-3-methoxybenzene · 1,2-Dimethyl-6-methoxybenzene · 2,3-DiMethylanisole, 97% 100GR
Identifikatoren & physikalische Daten
| CAS No. | 2944-49-2 |
|---|---|
| Summenformel | C9H12O |
| Durchschnittliche Molmasse | 136,19 g/mol |
| Monoisotopische Masse | 136,088815 g/mol |
| SMILES | COc1cccc(C)c1C |
| InChIKey | BLMBNEVGYRXFNA-UHFFFAOYSA-N |
| PubChem CID | 76269 |
| EC No. | 220-948-0 |
| DTXSID | DTXSID60183646 |
| Lokaler Name | 2,3-Dimethylanisol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 101 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Schmelzpunkt | 29 °C(lit.) |
| Siedepunkt | 195 °C(lit.) |
| Dichte | 0.984 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.52(lit.) |
| Flammpunkt | 155 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to lump |
| Wichte | 0.984 |
| Farbe | White to Almost white |
| Löslichkeit | immiscible |
| BRN | 1859736 |
| InChI | InChI=1S/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3 |
| InChIKey | BLMBNEVGYRXFNA-UHFFFAOYSA-N |
| SMILES | C1(OC)=CC=CC(C)=C1C |
| LogP (Verteilungskoeffizient) | 3.211 (est) |
| CAS Datenbank | 2944-49-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2,3-Dimethylanisole(2944-49-2) |
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 40 reports by companies from 3 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 | 29093090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
Anwendungen & Verwendung
Verwenden
2,3-Dimethylanisole is used as starting reagent in the synthesis of biphenyl-indanone A, a positive allosteric modulator of the metabotropic glutamate receptor subtype 2. It can be used to produce 2-methoxy-6-methyl-benzaldehyde by heating.