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2,4-Bis(1-methyl-1-phenylethyl)phenol
2,4-bis(2-phenylpropan-2-yl)phenol · 2,4-bis(1-methyl-1-phenylethyl)phenol · 2,4-Bis( · 2,4-dibutanol · 2,4 DI-CUMYLPHENOL · 2,4-Bis(α,α-dimethyL · 2,4-DI-ALPHA-CUMYLPHENOL · 2,4-bis(α,α-dimethylbenzyl)phenol
Identifikatoren & physikalische Daten
| CAS No. | 2772-45-4 |
|---|---|
| Summenformel | C24H26O |
| Durchschnittliche Molmasse | 330,5 g/mol |
| Monoisotopische Masse | 330,19836545 g/mol |
| SMILES | CC(C)(c1ccccc1)c1ccc(O)c(C(C)(C)c2ccccc2)c1 |
| InChIKey | FMUYQRFTLHAARI-UHFFFAOYSA-N |
| PubChem CID | 76013 |
| ChEMBL | CHEMBL3183863 |
| EC No. | 220-466-0 |
| DTXSID | DTXSID7029241 |
| Lokaler Name | 2,4-Bis(1-methyl-1-phenylethyl)phenol |
Chemische & physikalische Eigenschaften
| XLogP | 7,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 412 |
| Stoffklassen | UV filter |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | Other SolidLiquid |
| Collision Cross Section | 171.9 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7029241] |
| Schmelzpunkt | 63-65 °C(lit.) |
| Siedepunkt | 206 °C15 mm Hg(lit.) |
| Dichte | 1.063 |
| Brechungsindex | 1.6380 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 10.71±0.10(Predicted) |
| Farbe | White to Light yellow |
| InChI | InChI=1S/C24H26O/c1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19/h5-17,25H,1-4H3 |
| InChIKey | FMUYQRFTLHAARI-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(C(C)(C2=CC=CC=C2)C)C=C1C(C)(C1=CC=CC=C1)C |
| CAS Datenbank | 2772-45-4(CAS DataBase Reference) |
| EPA chemische Informationen | 2,4-Bis(1-methyl-1-phenylethyl)phenol (2772-45-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.WarningH319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Phenol, 2,4-bis(1-methyl-1-phenylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,4-bis(1-methyl-1-phenylethyl)- 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)Status: Active Update: 08-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17219Phenol, 2,4-bis(1-methyl-1-phenylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Eye Irrit. 2 (95.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2907.19.8000 |
| R-Sätze (R) | 26-27-36/39-36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-27-28-36/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
UV Stabilizer and Antioxidant Intermediate