HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Benzyloxy-1-propanol
DK793 · DOMIT-018 · NSC 406922 · 3-benzyloxypropanol · 3-Benzyloxy-1-propan · 3-BENZYLOXY-1-PROPANOL · 3-BENZYLOXY-PROPAN-1-OL · 1-(Benzyloxy)-3-propanol
Identifikatoren & physikalische Daten
| CAS No. | 4799-68-2 |
|---|---|
| Summenformel | C10H14O2 |
| Durchschnittliche Molmasse | 166,22 g/mol |
| Monoisotopische Masse | 166,09937969 g/mol |
| SMILES | OCCCOCc1ccccc1 |
| InChIKey | FUCYABRIJPUVAT-UHFFFAOYSA-N |
| PubChem CID | 347971 |
| EC No. | 610-399-9 |
| DTXSID | DTXSID30324524 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 98 |
| Siedepunkt | 111-114 °C/2 mmHg (lit.) |
| Dichte | 1.049 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.516 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 14.88±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.049 |
| Farbe | Clear colorless |
| BRN | 1864016 |
| InChI | InChI=1S/C10H14O2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | FUCYABRIJPUVAT-UHFFFAOYSA-N |
| SMILES | C(O)CCOCC1=CC=CC=C1 |
| CAS Datenbank | 4799-68-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.WarningH315 (97.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2909498090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Benzyloxy-1-propanol may be used for the synthesis of 1-benzyloxy-3-iodopropane.