HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Benzylphenol
P-BENZYLPHENOL · BENZYLPHENOL · 4-(Phenylmethyl)phenol · Phenol, 4-(phenylmethyl)- · ai3-1932 · NSC 8078 · fesiasept · Fesia-sept
Identifikatoren & physikalische Daten
| CAS No. | 101-53-1 |
|---|---|
| Summenformel | C13H12O |
| Durchschnittliche Molmasse | 184,23 g/mol |
| Monoisotopische Masse | 184,088815 g/mol |
| SMILES | Oc1ccc(Cc2ccccc2)cc1 |
| InChIKey | HJSPWKGEPDZNLK-UHFFFAOYSA-N |
| PubChem CID | 7563 |
| ChEMBL | CHEMBL611613 |
| EC No. | 202-950-3 |
| DTXSID | DTXSID9047962 |
| Lokaler Name | 4-Benzylphenol |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 153 |
| Dampfdruck | 0.0000685 [mmHg] |
| Physical Description | Solid[Merck Index] White crystalline solid[Alfa Aesar MSDS] |
| Kovats Retention Index | 295.4 |
| Schmelzpunkt | 79-81 °C(lit.) |
| Siedepunkt | 198-200 °C10 mm Hg(lit.) |
| Dichte | 1.0120 (rough estimate) |
| Brechungsindex | 1.5641 (estimate) |
| Flammpunkt | 320-322°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | almost transparency in Methanol99.99mg/L(25 ºC) |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 10.23±0.10(Predicted) |
| Farbe | White to Light yellow to Light orange |
| Merck | 14,1143 |
| BRN | 1449572 |
| InChI | 1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2 |
| InChIKey | HJSPWKGEPDZNLK-UHFFFAOYSA-N |
| SMILES | Oc1ccc(Cc2ccccc2)cc1 |
| CAS Datenbank | 101-53-1(CAS DataBase Reference) |
| EPA chemische Informationen | Phenol, 4-(phenylmethyl)- (101-53-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Phenol, 4-(phenylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Diphenylmethane. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2907.19.8000 |
| RTECS-Nr. | SM8330500 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Benzylphenol_x000D_(4-Hydroxydiphenylmethane) (cas# 101-53-1) is a compound useful in organic synthesis.