HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Ethoxybenzylalkohol
(4-Ethoxyphenyl)methanol · NSC 406713 · RARECHEM AL BD 0088 · 4-Ethoxybenzyl Acohol · 4-ETHOXYBENZYL ALCOHOL · P-ETHOXYBENZYL ALCOHOL · 4-Ethoxybenzyl alcohol,98% · 4-Ethoxybenzene-1-methanol
Identifikatoren & physikalische Daten
| CAS No. | 6214-44-4 |
|---|---|
| Summenformel | C9H12O2 |
| Durchschnittliche Molmasse | 152,19 g/mol |
| Monoisotopische Masse | 152,08372962 g/mol |
| SMILES | CCOc1ccc(CO)cc1 |
| InChIKey | UKFLLQIRBABMKF-UHFFFAOYSA-N |
| PubChem CID | 80345 |
| ChEMBL | CHEMBL1650240 |
| EC No. | 228-283-8 |
| DTXSID | DTXSID80211197 |
| Lokaler Name | 4-Ethoxybenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| 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 |
| Schmelzpunkt | 32-34 °C(lit.) |
| Siedepunkt | 273 °C(lit.) |
| Dichte | 1.0505 (rough estimate) |
| Brechungsindex | n20/D 1.535(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Solubility in methanol is almost transparent. |
| pKa (Säurekonstante) | 14.54±0.10(Predicted) |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Light yellow |
| CAS Datenbank | 6214-44-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): 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 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 | Acute Tox. 4 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29094990 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
It is used in the identification of sulfation sites of metabolites and prediction of the compounds biological effects and in chemical investigation of Wedelia calendulacea.