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Dihexyl ether
n-hexyl · HEXYL ETHER · N-HEXYL ETHER · DIHEXYL ETHER · ether,dihexyl · HexylEther>Ether, dihexyl · 1-hexoxyhexane · DI-N-HEXYL ETHER
Identifikatoren & physikalische Daten
| CAS No. | 112-58-3 |
|---|---|
| Summenformel | C12H26O |
| Durchschnittliche Molmasse | 186,33 g/mol |
| Monoisotopische Masse | 186,19836545 g/mol |
| SMILES | CCCCCCOCCCCCC |
| InChIKey | BPIUIOXAFBGMNB-UHFFFAOYSA-N |
| PubChem CID | 8198 |
| EC No. | 203-987-8 |
| DTXSID | DTXSID8059421 |
Chemische & physikalische Eigenschaften
| XLogP | 4,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 71 |
| Dampfdruck | 0.04 [mmHg]15Pa at 20℃ |
| Physical Description | LiquidClear colorless liquid[Sigma-Aldrich MSDS] |
| Kovats Retention Index | 126512281269128712641367136813491359 |
| Schmelzpunkt | -43°C |
| Siedepunkt | 228-229 °C(lit.) |
| Dichte | 0.793 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4204(lit.) |
| Flammpunkt | 173 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Fully miscible in water. |
| BRN | 1738177 |
| Henry-Konstante | 2.9×10-4 mol/(m3Pa) at 25℃, Yaws (2003) |
| InChI | 1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3 |
| InChIKey | BPIUIOXAFBGMNB-UHFFFAOYSA-N |
| SMILES | CCCCCCOCCCCCC |
| LogP (Verteilungskoeffizient) | 4.98 |
| CAS Datenbank | 112-58-3(CAS DataBase Reference) |
| EPA chemische Informationen | Hexane, 1,1'-oxybis- (112-58-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | H413 (90.5%): 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)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Hexane, 1,1'-oxybis-Hexane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1'-oxybis- 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: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16485 |
| Gefahrenübersicht | A mild skin irritantCauses altered sleep time (including change in righting reflex) in intravenous lethal-dose studies of mice[RTECS] A mild skin irritant[Sigma-Aldrich MSDS] |
| Peroxide Forming Chemical | n-Hexyl etherD: Other compounds that may form peroxidesKelly |
| Hazard Classes and Categories | Aquatic Chronic 4 (90.5%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2909.19.1800 |
| RTECS-Nr. | KN8600000 |
| R-Sätze (R) | 66 |
| Toxizität | mouse,LDLo,intravenous,885mg/kg (885mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975. |
Anwendungen & Verwendung
Verwenden
Dihexyl ether has been used as: supported liquid membrane during hollow-fiber liquid-phase microextraction method for determination of nitrophenolic compounds from atmospheric aerosol particles, an extraction solvent to detect avermectins in stream water by hollow-fiber-assisted liquid-phase microextraction technique coupled with LC-MS/MS.