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Methyl-3,5-bis-tert-butyl-4-hydroxybenzoat
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester · RARECHEM AL BF 0198 · Methyl 3,5-di-tert-butyl-4-hydroxybenzoate · methyl 3,5-bis-tert-butyl-4-hydroxybenzoate · 3,5-DI-TERT-BUTYL-4-HYDROXYBENZOIC ACID METHYL ESTER
Identifikatoren & physikalische Daten
| CAS No. | 2511-22-0 |
|---|---|
| Summenformel | C16H24O3 |
| Durchschnittliche Molmasse | 264,36 g/mol |
| Monoisotopische Masse | 264,17254462 g/mol |
| SMILES | COC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 |
| InChIKey | UPVYFJALDJUSOV-UHFFFAOYSA-N |
| PubChem CID | 75639 |
| ChEBI | CHEBI:88829 |
| EC No. | 219-729-2 |
| DTXSID | DTXSID90947975 |
| Lokaler Name | Methyl-3,5-bis-tert-butyl-4-hydroxybenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 298 |
| Schmelzpunkt | 164-166°C |
| Siedepunkt | 334.8±42.0 °C(Predicted) |
| Dichte | 1.020±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.19±0.40(Predicted) |
| Farbe | White to Off-White |
| BRN | 2218125 |
| CAS Datenbank | 2511-22-0(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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-37 |
Anwendungen & Verwendung
Verwenden
Methyl 3,5-Di-tert-butyl-4-hydroxybenzoate is an antioxidant; used in method for preparaing high-efficiency composite antioxidant and application.