HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Octylbenzol
OCTYLBENZENE · PHENYLOCTANE · Octylbenzol · octyl-benzen · 1-PHENYLOCTANE · N-OCTYLBENZENE · Benzene, octyl- · octane,1-phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 2189-60-8 |
|---|---|
| Summenformel | C14H22 |
| Durchschnittliche Molmasse | 190,32 g/mol |
| Monoisotopische Masse | 190,1721507 g/mol |
| SMILES | CCCCCCCCc1ccccc1 |
| InChIKey | CDKDZKXSXLNROY-UHFFFAOYSA-N |
| PubChem CID | 16607 |
| EC No. | 218-582-1 |
| DTXSID | DTXSID2062240 |
| Lokaler Name | Octylbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 6,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 111 |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 6.5 |
| Schmelzpunkt | -36 °C (lit.) |
| Siedepunkt | 261-263 °C (lit.) |
| Dichte | 0.858 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.484(lit.) |
| Flammpunkt | 226 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Löslichkeit | Immiscible with water. |
| BRN | 1906253 |
| Henry-Konstante | 1.8×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3 |
| InChIKey | CDKDZKXSXLNROY-UHFFFAOYSA-N |
| SMILES | CCCCCCCCc1ccccc1 |
| CAS Datenbank | 2189-60-8(CAS DataBase Reference) |
| NIST chemische Informationen | n-Octylbenzene(2189-60-8) |
| EPA chemische Informationen | Benzene, octyl- (2189-60-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.Not ClassifiedAggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Benzene, octyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, octyl- 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)1-Phenyloctane: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29029090 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
n-octylbenzene is used as a solvent to study the self-assembly of derivatives of tetrathiafulvalene (TTF) on graphite and their visualization by scanning tunnelling microscopy (STM). It is also involved in the study the effects and substitution of these compounds. It is also used to prepare charge-transfer complexes with fluoranil and 1,3,5-trinitrobenzene.