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3',5'-Bis(tert-butyl)-4'-hydroxyacetophenone
Dibutylhydroxyacetophenone · 1-(3,5-Di-tert-butyl-4-hydroxyphenyl) · 3,5-DI-TERT-BUTYL-4-HYDROXYACETOPHENONE · 3,5-DI-TERT-BUTYL-4'-HYDROXYACETOPHENONE · 3,5-ditert-butyl-4-hydroxybenzenethylone · 3',5'-DI-TERT-BUTYL-4'-HYDROXYACETOPHENONE · 3',5'-Bis(tert-butyl)-4'-hydroxyacetophenone · 1-(3,5-DITERT-BUTYL-4-HYDROXYPHENYL)ETHANONE
Identifikatoren & physikalische Daten
| CAS No. | 14035-33-7 |
|---|---|
| Summenformel | C16H24O2 |
| Durchschnittliche Molmasse | 248,36 g/mol |
| Monoisotopische Masse | 248,17763001 g/mol |
| SMILES | CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 |
| InChIKey | WGJPGMJLARWHRK-UHFFFAOYSA-N |
| PubChem CID | 616296 |
| ChEMBL | CHEMBL225642 |
| ChEBI | CHEBI:183278 |
| EC No. | 622-532-8 |
| DTXSID | DTXSID30346908 |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 282 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 146-147°C |
| Siedepunkt | 308.2±37.0 °C(Predicted) |
| Dichte | 0.982±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 8.76±0.40(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Pale Beige |
| CAS Datenbank | 14035-33-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2914500090 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Herstellung & Synthese
synthetische
Preparation by reaction of acetic acid on 2,6-ditert-butylphenol with trifluoroacetic anhydride at r.t.