HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α-Methylbenzhydrylalkohol
1,1-Diphenyl-1-ethanol · α-Methylbenzhydol · à-methylbenzhydrol · α-methylbenzhydrol · 1,1-Diphenylethanol · ALPHA-METHYLBENZHYDROL · Diphenylmethylcarbinol · 1,1-Diphenylethanol,98%
Identifikatoren & physikalische Daten
| CAS No. | 599-67-7 |
|---|---|
| Summenformel | C14H14O |
| Durchschnittliche Molmasse | 198,26 g/mol |
| Monoisotopische Masse | 198,10446507 g/mol |
| SMILES | CC(O)(c1ccccc1)c1ccccc1 |
| InChIKey | GIMDPFBLSKQRNP-UHFFFAOYSA-N |
| PubChem CID | 69031 |
| EC No. | 209-970-1 |
| DTXSID | DTXSID0060519 |
| Lokaler Name | α-Methylbenzhydrylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 170 |
| Stoffklassen | Other Classes -> Other Aromatic Compounds |
| Physical Description | Crystalline powder[MSDSonline] |
| Schmelzpunkt | 77-81 °C (lit.) |
| Siedepunkt | 155 °C / 12mmHg |
| Dichte | 1.0074 (rough estimate) |
| Brechungsindex | 1.5381 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 13.61±0.29(Predicted) |
| Farbe | White to Light yellow |
| BRN | 1867726 |
| InChI | 1S/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3 |
| InChIKey | GIMDPFBLSKQRNP-UHFFFAOYSA-N |
| SMILES | CC(O)(c1ccccc1)c2ccccc2 |
| LogP (Verteilungskoeffizient) | 2.904 (est) |
| CAS Datenbank | 599-67-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanol, «alpha»-methyl-«alpha»-phenyl-(599-67-7) |
| EPA chemische Informationen | Benzenemethanol, .alpha.-methyl-.alpha.-phenyl- (599-67-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Gefahrenübersicht | May cause irritationToxicity not fully known[MSDSonline] |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29062990 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,1-Diphenylethanol was used to study the ESR spectra of the spiro-cyclohexadienyl intermediate in the alkoxyl radicals.