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Dioctylsulfid
Dioctyl sulfide · N-OCTYL SULFIDE · OCTYL SULFIDE · dioctylsulfide · Dioctylsulfane · n-Octyl sulphide · dioctyl sulphide · 9-Thiaheptadecane
Identifikatoren & physikalische Daten
| CAS No. | 2690-08-6 |
|---|---|
| Summenformel | C16H34S |
| Durchschnittliche Molmasse | 258,5 g/mol |
| Monoisotopische Masse | 258,23812226 g/mol |
| SMILES | CCCCCCCCSCCCCCCCC |
| InChIKey | LOXRGHGHQYWXJK-UHFFFAOYSA-N |
| PubChem CID | 75901 |
| ChEMBL | CHEMBL2398216 |
| EC No. | 220-259-5 |
| DTXSID | DTXSID1062594 |
| Lokaler Name | Dioctylsulfid |
Chemische & physikalische Eigenschaften
| XLogP | 7,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 14 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 109 |
| Physical Description | Colorless liquid with a mild odor[Chevron Phillips MSDS] |
| Kovats Retention Index | 18851875189218381866.92048 |
| Schmelzpunkt | -1°C |
| Siedepunkt | 180 °C10 mm Hg(lit.) |
| Dichte | 0.842 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.462(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Wichte | 0.85 |
| Löslichkeit | Solubility in water, 0.004678 mg/L @ 25°C (est) |
| BRN | 1701624 |
| InChI | 1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 |
| InChIKey | LOXRGHGHQYWXJK-UHFFFAOYSA-N |
| SMILES | CCCCCCCCSCCCCCCCC |
| LogP (Verteilungskoeffizient) | 8.110 (est) |
| CAS Datenbank | 2690-08-6(CAS DataBase Reference) |
| EPA chemische Informationen | Octane, 1,1'-thiobis- (2690-08-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.7% (2 of 54) of reports.DangerH318 (72.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (24.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H412 (14.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264+P265, P273, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 54 reports by companies.There are 4 notifications provided by 52 of 54 reports by companies with hazard statement code(s).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: Octane, 1,1'-thiobis- |
| Gefahrenübersicht | May cause irritation or injury to skin (pain, swelling, and blistering) and eyes (impaired vision), depending on severity of exposure and speed of treatmentHarmful by ingestion (may cause lung damage by aspiration)[Chevron Phillips MSDS] See Diethyl sulfide. |
| Hazard Classes and Categories | Eye Dam. 1 (72.2%)Eye Irrit. 2 (24.1%)Aquatic Chronic 3 (14.8%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2930.90.9250 |
| R-Sätze (R) | 41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Dam. 1 |
Anwendungen & Verwendung
Verwenden
It is employed as a pharmaceutical intermediate.