HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Benzyloxybenzylalkohol
RARECHEM AL BD 0066 · Ammonium Sulphate LR · M-phenoxy phenylcarbinol · 3-BENZYLOXYBENZYL ALCOHOL · (3-BENZYLOXYPHENYL)METHANOL · 3-Benzyloxybenzylic Alcohol · 3-Benzyloxybenzyl alcohol,97% · 3-Benzyloxybenzyl Alcohol >(3-phenylmethoxyphenyl)methanol
Identifikatoren & physikalische Daten
| CAS No. | 1700-30-7 |
|---|---|
| Summenformel | C14H14O2 |
| Durchschnittliche Molmasse | 214,26 g/mol |
| Monoisotopische Masse | 214,09937969 g/mol |
| SMILES | OCc1cccc(OCc2ccccc2)c1 |
| InChIKey | AFKLSWIRJUJWKY-UHFFFAOYSA-N |
| PubChem CID | 74341 |
| EC No. | 216-931-2 |
| DTXSID | DTXSID70168782 |
| Lokaler Name | 4-Benzyloxybenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 187 |
| Schmelzpunkt | 48 °C(lit.) |
| Siedepunkt | 160°C/3mmHg(lit.) |
| Dichte | 1.0781 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store at room temperature |
| Löslichkeit | Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 14.30±0.10(Predicted) |
| Farbe | Light yellow to light beige |
| InChI | InChI=1S/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2 |
| InChIKey | AFKLSWIRJUJWKY-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC=CC(OCC2=CC=CC=C2)=C1 |
| CAS Datenbank | 1700-30-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzenemethanol, 3-(phenylmethoxy)-: Does not have an individual approval but may be used under an appropriate group standard |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062990 |
| R-Sätze (R) | 36/38-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26-36-24/25 |
Anwendungen & Verwendung
Verwenden
3-Benzyloxybenzyl alcohol serves as a precursor for the synthesis of 3-benzyloxybenzyl bromide using tetrabromomethane and triphenylphosphine[1].