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2,6,10,15,19,23-Hexamethyltetracosan
ROBANE · Dodecahydrosqualene · COSBIOL · PERHYDROSQUALENE · Synthetic squalane · Dermane · NATURAL SQUALANE · Vegetable Squalane
Identifikatoren & physikalische Daten
| CAS No. | 111-01-3 |
|---|---|
| Summenformel | C30H62 |
| Durchschnittliche Molmasse | 422,8 g/mol |
| Monoisotopische Masse | 422,48515198 g/mol |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C |
| InChIKey | PRAKJMSDJKAYCZ-UHFFFAOYSA-N |
| PubChem CID | 8089 |
| ChEMBL | CHEMBL1552157 |
| EC No. | 203-825-6 |
| DTXSID | DTXSID0046513 |
| Lokaler Name | 2,6,10,15,19,23-Hexamethyltetracosan |
Chemische & physikalische Eigenschaften
| XLogP | 14,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 21 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 308 |
| Stoffklassen | Other Uses -> Lubricants |
| Kosmetika | Cosmetic ingredients (Squalane) -> CIR (Cosmetic Ingredient Review)Skin conditioningRefattingEmollientHair conditioning |
| Dichte | 0.8115 @ 15°C0.81 g/mL at 25 °C (lit.) |
| Siedepunkt | 350 °C @760 [mm Hg]176 °C/0.05 mmHg (lit.) |
| Physical Description | Liquid[Merck Index] Colorless viscous liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -38 °C (lit.) |
| Brechungsindex | n20/D 1.452(lit.) |
| Flammpunkt | 424 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | chloroform: soluble100mg/mL, clearNot miscible or difficult to mix in water. |
| Aggregatzustand | liquid |
| Farbe | Clear Colourless |
| Merck | 14,8767 |
| BRN | 776019 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR CONDITIONINGSKIN CONDITIONINGREFATTINGSKIN CONDITIONING - EMOLLIENT |
| InChI | 1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3 |
| InChIKey | PRAKJMSDJKAYCZ-UHFFFAOYSA-N |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C |
| LogP (Verteilungskoeffizient) | 17 at 25℃ |
| CAS Datenbank | 111-01-3(CAS DataBase Reference) |
| NIST chemische Informationen | Tetracosane, 2,6,10,15,19,23-hexamethyl-(111-01-3) |
| EPA chemische Informationen | Squalane (111-01-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not ClassifiedAggregated GHS information provided per 391 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Tetracosane, 2,6,10,15,19,23-hexamethyl-Tetracosane, 2,6,10,15,19,23-hexamethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Tetracosane, 2,6,10,15,19,23-hexamethyl- 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: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14412Squalane: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A mild to moderate skin irritant[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| EPA Safer Chemical | Chemical: Squalane |
| Hazard Classes and Categories | Not Classified |
| Protective Action Criteria (PAC) | 12 [ppm]130 [ppm]790 [ppm] |
| Toxizitätsübersicht | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29012990 |
| RTECS-Nr. | XB6070000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse |
Anwendungen & Verwendung
Verwenden
Squalane has been used: as solvent in the synthesis of Europium dibenzoylmethide triethylammonium, brightest known triboluminescent (TL) material;as lubricant for fatty acid surfactant films adsorbed on iron oxide surfaces