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4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
Trisphenol PA · Trishydroxyphenylethylisopropylbezene · 4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol · 4,4'-(1-(4-(2-(4-Hydroxyphenyl)propan-2-yl)phenyl)ethane-1,1-diyl)diphenol · Triphenol A · TRIS-PA (PHENOL) · ethane-1,1-diyl) · 4,4'-(1-(4-(2-(4-Hydroxyphenyl)
Identifikatoren & physikalische Daten
| CAS No. | 110726-28-8 |
|---|---|
| Summenformel | C29H28O3 |
| Durchschnittliche Molmasse | 424,5 g/mol |
| Monoisotopische Masse | 424,20384476 g/mol |
| SMILES | CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1 |
| InChIKey | WXYSZTISEJBRHW-UHFFFAOYSA-N |
| PubChem CID | 634278 |
| ChEMBL | CHEMBL455575 |
| EC No. | 425-600-3 |
| DTXSID | DTXSID3073052 |
Chemische & physikalische Eigenschaften
| XLogP | 6,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 60,7 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 32 |
| Formalladung | 0 |
| Komplexität | 547 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | Wet Solid |
| Schmelzpunkt | 225°C |
| Siedepunkt | 623.1±50.0 °C(Predicted) |
| Dichte | 1.186±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 10.22±0.10(Predicted) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C29H28O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24/h4-19,30-32H,1-3H3 |
| InChIKey | WXYSZTISEJBRHW-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C1=CC=C(C(C2=CC=C(O)C=C2)(C)C)C=C1)C |
| EPA chemische Informationen | Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis- (110726-28-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]Aggregated GHS information provided per 18 reports by companies from 2 notifications to the ECHA C&L Inventory.Warning |
|---|---|
| Regulatorische Informationen | Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis- 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 14-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33600 |
| Hazard Classes and Categories | Aquatic Chronic 4 (100%)Skin Irrit. 2 (50%)Hazardous to the aquatic environment (chronic) - category 4Aquatic Chronic 4 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2907.29.2500 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
α,α,α''-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzene is a useful reactant in the synthesis of single-walled carbon nanotubes (SWNTs) through irradation with an IR laser.