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2-Methoxyhydrochinon
2-METHOXYBENZENE-1,4-DIOL · METHOXYHYDROQUINONE · 1,4-Benzenediol, 2-methoxy- · 2,5-DIHYDROXYANISOLE · MBQH2 · 2-Methoxy-1,4-benzohydroquinone · 2-methoxyquinol · 2,5-DIHYDROXYANISOL
Identifikatoren & physikalische Daten
| CAS No. | 824-46-4 |
|---|---|
| Summenformel | C7H8O3 |
| Durchschnittliche Molmasse | 140,14 g/mol |
| Monoisotopische Masse | 140,04734412 g/mol |
| SMILES | COc1cc(O)ccc1O |
| InChIKey | LAQYHRQFABOIFD-UHFFFAOYSA-N |
| PubChem CID | 69988 |
| ChEMBL | CHEMBL551075 |
| ChEBI | CHEBI:176649 |
| EC No. | 212-530-1 |
| DTXSID | DTXSID00231716 |
| Lokaler Name | 2-Methoxyhydrochinon |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 105 |
| LogP (Verteilungskoeffizient) | 0.47 |
| Schmelzpunkt | 88-91 °C(lit.) |
| Siedepunkt | 180 °C / 24mmHg |
| Dichte | 1.1624 (rough estimate) |
| Brechungsindex | 1.4850 (estimate) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | DMF: 2 mg/ml,DMSO: 5 mg/ml,Ethanol: 10 mg/mlSlightly soluble in water. Solubility in methanol is almost transparent. |
| Aggregatzustand | Crystalline Powder and Chunks |
| pKa (Säurekonstante) | 10.30±0.18(Predicted) |
| Farbe | Orange-brown to brown and gray |
| BRN | 2045285 |
| InChI | 1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3 |
| InChIKey | LAQYHRQFABOIFD-UHFFFAOYSA-N |
| SMILES | COc1cc(O)ccc1O |
| CAS Datenbank | 824-46-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1,4-Benzenediol, 2-methoxy-(824-46-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (14.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29095000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-methoxyhydroquinone is a member of phenols. It finds its application in the formation of coniferyl alcohol from ferulic acid by the white rot fungus Trametes.