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4,4'-(3,3,5-Trimethylcyclohexylidene)bis(phenol)
BPTMC · 1,1-BIS(4-HYDROXYPHENYL)-3,3,5-TRIMETHYLCYCLOHEXANE · BISP-TMC · Bisphenol TMC · Bisphenol TMC,BPTMC · Bisphenol TMC Solution · Bisphenol TMC in acetonitrile · Bisphenol TMC@10 mg/mL in Methanol
Identifikatoren & physikalische Daten
| CAS No. | 129188-99-4 |
|---|---|
| Summenformel | C21H26O2 |
| Durchschnittliche Molmasse | 310,4 g/mol |
| Monoisotopische Masse | 310,19328007 g/mol |
| SMILES | CC1CC(C)(C)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1 |
| InChIKey | UMPGNGRIGSEMTC-UHFFFAOYSA-N |
| PubChem CID | 4134035 |
| ChEMBL | CHEMBL5877031 |
| EC No. | 603-320-4 |
| DTXSID | DTXSID50881048 |
Chemische & physikalische Eigenschaften
| XLogP | 6,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 365 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | Dry Powder |
| Schmelzpunkt | 204-207°C |
| Siedepunkt | 450.8±38.0 °C(Predicted) |
| Dichte | 1.075±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Room Temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.91±0.30(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 9785841 |
| Henry-Konstante | 4.4×105 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3 |
| InChIKey | UMPGNGRIGSEMTC-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)CC(C)CC(C)(C)C1 |
| EPA chemische Informationen | Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis- (129188-99-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
|---|---|
| Regulatorische Informationen | Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)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. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Aquatic Chronic 1 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
Anwendungen & Verwendung
Beschreibung
Bisphenol TMC, also known as 2,2-bis-(4-hydroxy phenyl) butane, is a very important organic chemistry raw material, they are as macromolecular material intermediate, are applied in the fields such as synthetic epoxy resin, cyanate, polycarbonate, polyarylester and resol widely.
Verwenden
Bisphenol TMC(1,1-Bis(4-hydroxyphenyl)-3,3,5-trimethylcyclohexane) is a bisphenol derivative used in the preparation of polycarbonate, polyester and epoxy resins.