HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Propoxyphenol
Phenol, 4-propoxy- · 4-propoxy- · Proproxyphenol · 4-propoxy-pheno · P-PROPOXYPHENOL · 4-PROPOXYPHENOL · 4-PROPYLOXYPHENOL · 4-N-PROPOXYPHENOL
Identifikatoren & physikalische Daten
| CAS No. | 18979-50-5 |
|---|---|
| Summenformel | C9H12O2 |
| Durchschnittliche Molmasse | 152,19 g/mol |
| Monoisotopische Masse | 152,08372962 g/mol |
| SMILES | CCCOc1ccc(O)cc1 |
| InChIKey | KIIIPQXXLVCCQP-UHFFFAOYSA-N |
| PubChem CID | 29352 |
| ChEMBL | CHEMBL225183 |
| EC No. | 679-814-9 |
| DTXSID | DTXSID6066442 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 95,7 |
| LogP (Verteilungskoeffizient) | 2.31 |
| Schmelzpunkt | 54-56 °C(lit.) |
| Siedepunkt | 234.66°C (rough estimate) |
| Dichte | 1.0505 (rough estimate) |
| Brechungsindex | 1.4910 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.34±0.15(Predicted) |
| Farbe | Light Brown |
| CAS Datenbank | 18979-50-5(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Propoxyphenol(18979-50-5) |
| EPA chemische Informationen | Phenol, 4-propoxy- (18979-50-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Phenol, 4-propoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (16.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29071990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 22-24/25-37/39-26 |
Anwendungen & Verwendung
Verwenden
Intermediates of Liquid Crystals