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2-(1,1-Dimethylpropyl)phenol
ORTHO-TERT-AMYLPHENOL · OTAP · 2-t-Amylphenol · o-tert-Amylphenol · 2-TERT-AMYLPHENOL · o-tert-Pentylphenol · 2-TERT-PENTYLPHENOL · 2-tert-Amylphenol >2-tert-Amylphenol
Identifikatoren & physikalische Daten
| CAS No. | 3279-27-4 |
|---|---|
| Summenformel | C11H16O |
| Durchschnittliche Molmasse | 164,24 g/mol |
| Monoisotopische Masse | 164,12011513 g/mol |
| SMILES | CCC(C)(C)c1ccccc1O |
| InChIKey | BGRKGHSKCFAPCL-UHFFFAOYSA-N |
| PubChem CID | 76769 |
| EC No. | 221-916-9 |
| DTXSID | DTXSID8062949 |
| Lokaler Name | 2-(1,1-Dimethylpropyl)phenol |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 140 |
| Schmelzpunkt | 280 °C |
| Siedepunkt | 92 °C / 4mmHg |
| Dichte | 0.98 |
| Dampfdruck | 4.08Pa at 25℃ |
| Brechungsindex | 1.5210-1.5250 |
| pKa (Säurekonstante) | 10.68±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Löslichkeit | 530mg/L at 21℃ |
| LogP (Verteilungskoeffizient) | 4 at 22℃ |
| EPA chemische Informationen | Phenol, 2-(1,1-dimethylpropyl)- (3279-27-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 25 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 2-(1,1-dimethylpropyl)-Status: Active Update: 13-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17108 |
| Hazard Classes and Categories | Acute Tox. 4 (96%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3145 |
| Zollcode | 2907199090 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Flavors, Fragrances, Antioxidant Intermediates