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3,3-Diphenylpropanol
3,3-DIPHENYLPROPANOL · 3,3-Dimethyl-1-propanol · 3,3-DIPHENYL-1-PROPANOL · 1-Propanol, 3,3-diphenyl- · 3,3-Diphenyl-1-propanol 98% · 3,3-Diphenyl-1-propanol >3,3-DIPHENYL-1-PROPANOL-PHENYLBENZENEPROPANOL · 3,3-DIPHENYL-1-PROPANOL CORPORATION STANDARD 96+%
Identifikatoren & physikalische Daten
| CAS No. | 20017-67-8 |
|---|---|
| Summenformel | C15H16O |
| Durchschnittliche Molmasse | 212,29 g/mol |
| Monoisotopische Masse | 212,12011513 g/mol |
| SMILES | OCCC(c1ccccc1)c1ccccc1 |
| InChIKey | IDCXQMVSIIJUEH-UHFFFAOYSA-N |
| PubChem CID | 29908 |
| EC No. | 243-466-2 |
| DTXSID | DTXSID70173831 |
| Lokaler Name | 3,3-Diphenylpropanol |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 160 |
| Kovats Retention Index | 1800 |
| Schmelzpunkt | 20-22 °C(Solv: heptane (142-82-5)) |
| Siedepunkt | 185 °C10 mm Hg(lit.) |
| Dichte | 1.067 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.584(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Acetonitrile (Slightly), Chloroform (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 14.97±0.10(Predicted) |
| Farbe | Colourless |
| InChI | 1S/C15H16O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2 |
| InChIKey | IDCXQMVSIIJUEH-UHFFFAOYSA-N |
| SMILES | OCCC(c1ccccc1)c2ccccc2 |
| CAS Datenbank | 20017-67-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenepropanol, «gamma»-phenyl-(20017-67-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2906.29.6000 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3,3-Diphenyl-1-propanol has been used in the preparation of novel and very potent prostacyclin (PGI2) agonists.