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1,4,7,10-Tetraoxacyclododecan
Crown · 1,4,7,10-TETRAOXACYCLODODECANE · 12-CROWN 4-ETHER · 12-C-4 · Eoct · 12C4 · 12 C 4 · 12-CROWN-4
Identifikatoren & physikalische Daten
| CAS No. | 294-93-9 |
|---|---|
| Summenformel | C8H16O4 |
| Durchschnittliche Molmasse | 176,21 g/mol |
| Monoisotopische Masse | 176,10485899 g/mol |
| SMILES | C1COCCOCCOCCO1 |
| InChIKey | XQQZRZQVBFHBHL-UHFFFAOYSA-N |
| PubChem CID | 9269 |
| ChEMBL | CHEMBL4566196 |
| ChEBI | CHEBI:32399 |
| EC No. | 206-036-5 |
| DTXSID | DTXSID6059780 |
| Lokaler Name | 1,4,7,10-Tetraoxacyclododecan |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 65,1 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | -0.04 |
| Schmelzpunkt | 16 °C (lit.) |
| Siedepunkt | 61-70 °C/0.5 mmHg (lit.) |
| Dichte | 1.089 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.463(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid After Melting |
| Wichte | 1.115 (20℃) |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | MISCIBLE |
| BRN | 1363064 |
| InChI | 1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2 |
| InChIKey | XQQZRZQVBFHBHL-UHFFFAOYSA-N |
| SMILES | C1COCCOCCOCCO1 |
| CAS Datenbank | 294-93-9(CAS DataBase Reference) |
| NIST chemische Informationen | 12-Crown-4(294-93-9) |
| EPA chemische Informationen | 1,4,7,10-Tetraoxacyclododecane (294-93-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P260, P264+P265, P271, P280, P284, P304+P340, P305+P351+P338, P316, P320, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,4,7,10-Tetraoxacyclododecane1,4,7,10-Tetraoxacyclododecane: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Eye Irrit. 2 (11.1%) |
| F | 3-9-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 |
| Zollcode | 29329995 |
| RTECS-Nr. | XF0550000 |
| R-Sätze (R) | 26-36/37/38-20/21/22 |
| Toxizität | LD50 oral in rat: 2830mg/kg |
| Gefahrensymbole | T+,Xn,Xi |
| Sicherheitshinweise (S) | 28-36/37-45-36-26 |
| Gefahrenklasse | 6.1Acute Tox. 1 Inhalation |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
12-Crown-4 can be used as: A promoter in the synthesis of poly(diethylsiloxane) (PDES) from monomer hexaethylcyclotrisiloxane using NaOH as a catalyst via anionic ring-opening polymerization. As an additive in the preparation of triarylmethane derivatives by palladium-catalyzed cross coupling reaction of aryl bromides with diarylmethane derivatives. A phase transfer catalyst in organic synthesis.