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2,6-Dimethyloctane
dimethyloctane · Octane, 2,6-dimethyl- · 2,6-Dimethyloctane · octane,2,6-dimethyl- · tetrahydrocitronellene · 2,6-Dimethyloctane >2,6-DIMETHYLOCTANE 95+% · 2,6-Dimethyloctane in isooctane
Identifikatoren & physikalische Daten
| CAS No. | 2051-30-1 |
|---|---|
| Summenformel | C10H22 |
| Durchschnittliche Molmasse | 142,28 g/mol |
| Monoisotopische Masse | 142,1721507 g/mol |
| SMILES | CCC(C)CCCC(C)C |
| InChIKey | ZALHPSXXQIPKTQ-UHFFFAOYSA-N |
| PubChem CID | 16319 |
| EC No. | 623-659-1 |
| DTXSID | DTXSID7058628 |
Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 64,4 |
| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
| Physical Description | Very faintly yellow liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -53.15°C |
| Siedepunkt | 158°C |
| Dichte | 0,73 g/cm3 |
| Brechungsindex | 1.3990-1.4130 |
| Flammpunkt | 34°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | 89.16ug/L(temperature not stated) |
| Henry-Konstante | 1.0×10-6 mol/(m3Pa) at 25℃, Yaws (2003) |
| InChI | InChI=1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3 |
| InChIKey | ZALHPSXXQIPKTQ-UHFFFAOYSA-N |
| SMILES | CC(C)CCCC(C)CC |
| LogP (Verteilungskoeffizient) | 5.490 (est) |
| CAS Datenbank | 2051-30-1(CAS DataBase Reference) |
| EPA chemische Informationen | Octane, 2,6-dimethyl- (2051-30-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Octane, 2,6-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| UN-Transportnummer | 3295 |
| Zollcode | 2901.10.5000 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Myrcane is a useful synthetic intermediate. It was used to synthesize alcohols via C-H hydroxylation of alicyclic and aliphatics compounds.