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Cholest-5-en-3-β-ylbenzoat
3b-(Benzoyloxy) · Benzoate Cholesterol · CHOLESTERYL BENZOATE · CHOLESTEROL BENZOATE · Cholesterolbenzoate,95% · CHOLESTERYL BENZOATE(RG) · CHOLESTERYL BENZOATE 98% · Cholesteryl benzoate,98%
Identifikatoren & physikalische Daten
| CAS No. | 604-32-0 |
|---|---|
| Summenformel | C34H50O2 |
| Durchschnittliche Molmasse | 490,8 g/mol |
| Monoisotopische Masse | 490,38108083 g/mol |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChIKey | UVZUFUGNHDDLRQ-LLHZKFLPSA-N |
| PubChem CID | 2723613 |
| EC No. | 210-064-3 |
| DTXSID | DTXSID10897509 |
| Lokaler Name | Cholest-5-en-3-β-ylbenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 10,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 806 |
| Stoffklassen | Biological Agents -> Cholesterol and Derivatives |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | White odorless powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 148-150 °C (lit.) |
| Siedepunkt | 545.16°C (rough estimate) |
| Dichte | 0.9276 (rough estimate) |
| Brechungsindex | 1.4875 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | INSOLUBLE |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| Merck | 14,2201 |
| BRN | 3225829 |
| InChIKey | UVZUFUGNHDDLRQ-LLHZKFLPSA-N |
| SMILES | O=C(O[C@@H]1CC2=CC[C@]3([H])[C@@](CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)([H])[C@@]2(C)CC1)C5=CC=CC=C5 |
| LogP (Verteilungskoeffizient) | 12.396 (est) |
| CAS Datenbank | 604-32-0(CAS DataBase Reference) |
| NIST chemische Informationen | Cholesteryl benzoate(604-32-0) |
| EPA chemische Informationen | Cholest-5-en-3-ol (3.beta.)-, benzoate (604-32-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163100 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Cholesteryl benzoate (CB) is a structure directing agent which can be used in the growth of oriented lithium iron phosphate (LiFePO4) for the fabrication of lithium ion batteries. It can be used in the fabrication of polymer dispersed liquid crystals (PDLC) which show liquid crystallinity by cooling the material from the isotropic phase.