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p-(2-Methoxyethyl)phenol
PHME · 4-(2-METHOXYETHYL)PHENOL · P-(2-METHOXYETHYL)PHENOL · Metoprolol Impurity · p-(2-Methoxyetyl)phenol · The Methoxy ethyl phenol · 4-beta-Methoxyethylphenol · 4-HYDROXYPHENYLETHYL METHYL ETHER
Identifikatoren & physikalische Daten
| CAS No. | 56718-71-9 |
|---|---|
| Summenformel | C9H12O2 |
| Durchschnittliche Molmasse | 152,19 g/mol |
| Monoisotopische Masse | 152,08372962 g/mol |
| SMILES | COCCc1ccc(O)cc1 |
| InChIKey | FAYGEALAEQKPDI-UHFFFAOYSA-N |
| PubChem CID | 92516 |
| ChEMBL | CHEMBL1094369 |
| EC No. | 260-354-9 |
| DTXSID | DTXSID2073564 |
| Lokaler Name | p-(2-Methoxyethyl)phenol |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 95 |
| Schmelzpunkt | 42-45 °C(lit.) |
| Siedepunkt | 125 °C / 3mmHg |
| Dichte | 1.060±0.06 g/cm3(Predicted) |
| Dampfdruck | 0.41Pa at 20℃ |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)8.42g/L at 20℃ |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.00±0.15(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,10H,6-7H2,1H3 |
| InChIKey | FAYGEALAEQKPDI-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(CCOC)C=C1 |
| LogP (Verteilungskoeffizient) | 1.79 at 20℃ |
| CAS Datenbank | 56718-71-9(CAS DataBase Reference) |
| EPA chemische Informationen | Phenol, 4-(2-methoxyethyl)- (56718-71-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.9% (4 of 58) of reports.WarningH315 (89.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (86.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (84.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 4 of 58 reports by companies.There are 11 notifications provided by 54 of 58 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 15-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13533Status: Active Update: 12-03-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/7162 |
| Hazard Classes and Categories | Skin Irrit. 2 (89.7%)Eye Irrit. 2 (86.2%)STOT SE 3 (84.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29095000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
4-(2-Methoxyethyl)phenol (also known as p-(2-Methoxyethyl)phenol) is the starting material for the synthesis of metoprolol tartrate. Metoprolol tartrate is a selective β₁-blocker used in the treatment of various cardiovascular conditions, particularly hypertension.
Verwenden
4-(2-Methoxyethyl)phenol is an Impurity of Metoprolol.