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2-Methoxyphenethylalkohol
2-(2-METHOXYPHENYL)ETHANOL · 2-(2-Methoxyphenyl) · 2-methoxy-benzeneethano · 2-(ortho-anisyl) ethanol · 2-(2-Hydroxyethyl)anisole · 2-METHOXYPHENETHYL ALCOHOL · Benzeneethanol, 2-Methoxy- · 1-(2-Methoxyphenyl)ethanol
Identifikatoren & physikalische Daten
| CAS No. | 7417-18-7 |
|---|---|
| Summenformel | C9H12O2 |
| Durchschnittliche Molmasse | 152,19 g/mol |
| Monoisotopische Masse | 152,08372962 g/mol |
| SMILES | COc1ccccc1CCO |
| InChIKey | XLDRDNQLEMMNNH-UHFFFAOYSA-N |
| PubChem CID | 81909 |
| EC No. | 231-029-9 |
| DTXSID | DTXSID60225136 |
| Lokaler Name | 2-Methoxyphenethylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 104 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 37 °C |
| Siedepunkt | 133-135 °C/10 mmHg (lit.) |
| Dichte | 1.076 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.54(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.89±0.10(Predicted) |
| Farbe | Colorless to Light yellow |
| InChI | InChI=1S/C9H12O2/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5,10H,6-7H2,1H3 |
| InChIKey | XLDRDNQLEMMNNH-UHFFFAOYSA-N |
| SMILES | C1(CCO)=CC=CC=C1OC |
| LogP (Verteilungskoeffizient) | 1.557 (est) |
| CAS Datenbank | 7417-18-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29094990 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Methoxyphenethyl alcohol may be used in chemical synthesis.