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4,6-Di-tert-butyl-m-kresol
2,4-DI-TERT-BUTYL-5-METHYLPHENOL · dbmc · 4,6-DBMP · Dibutylcresol · Thymol Impurity 16 · di-tert-butyl-m-cresol · 4,6-di-t-butyl-m-cresol · 4,6-tert butyl m-cresol
Identifikatoren & physikalische Daten
| CAS No. | 497-39-2 |
|---|---|
| Summenformel | C15H24O |
| Durchschnittliche Molmasse | 220,35 g/mol |
| Monoisotopische Masse | 220,18271539 g/mol |
| SMILES | Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C |
| InChIKey | WYSSJDOPILWQDC-UHFFFAOYSA-N |
| PubChem CID | 10346 |
| ChEMBL | CHEMBL3183034 |
| EC No. | 207-847-7 |
| DTXSID | DTXSID1041502 |
| Lokaler Name | 4,6-Di-tert-butyl-m-kresol |
Chemische & physikalische Eigenschaften
| XLogP | 5,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 231 |
| Stoffklassen | Other Classes -> Phenols |
| SpringerMaterials Properties | Boiling point |
| Dichte | 0.912 @ 80 °C/4 °C0.927 |
| Color/Form | CRYSTALS |
| Löslichkeit | PRACTICALLY INSOL IN WATER, ETHYLENE GLYCOLSOL IN ALC, BENZENE, CARBON TETRACHLORIDE, ETHER, ACETONEChloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 211 °C @ 100 MM HG284℃ |
| Schmelzpunkt | 62.1 °C62°C |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Solid[Merck Index] |
| Brechungsindex | 1.5021 (estimate) |
| Flammpunkt | 128℃ |
| Lagerbedingungen | Sealed in dry,2-8°C |
| pKa (Säurekonstante) | 11.68±0.23(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Light Yellow to Dark Orange |
| Merck | 14,2837 |
| InChI | InChI=1S/C15H24O/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4/h8-9,16H,1-7H3 |
| InChIKey | WYSSJDOPILWQDC-UHFFFAOYSA-N |
| SMILES | C1(O)=CC(C)=C(C(C)(C)C)C=C1C(C)(C)C |
| CAS Datenbank | 497-39-2 |
| EPA chemische Informationen | 4,6-Di-tert-butyl-m-cresol (497-39-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 12.2% (6 of 49) of reports.WarningH302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 2,4-bis(1,1-dimethylethyl)-5-methyl-Phenol, 2,4-bis(1,1-dimethylethyl)-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,4-bis(1,1-dimethylethyl)-5-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Phenol, 2,4-bis(1,1-dimethylethyl)-5-methyl-: 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 | Causes gastrointestinal bleeding in lethal-dose feeding studies of mice[RTECS] See Phenol. |
| Hazard Classes and Categories | Acute Tox. 4 (87.8%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2907.19.1000 |
| RTECS-Nr. | GO7800000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrstoffdaten | 497-39-2(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Condensation of 4,6-Di-tert-butyl-m-cresol can produce regulated food additive di-tert-butyl-m-cresyl phosphonite.