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Propan-1,2,3-triyltriicosanoat
ARACHIDIN · TRIARACHIN · Triarachine · Triaachidin · TRIARACHIDIN · TRIEICOSANOIN · eicosanoin,tri- · TRIARACHIDIN (C20:0)
Identifikatoren & physikalische Daten
| CAS No. | 620-64-4 |
|---|---|
| Summenformel | C63H122O6 |
| Durchschnittliche Molmasse | 975,6 g/mol |
| Monoisotopische Masse | 974,92414161 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC |
| InChIKey | KCVWRCXEUJUXIG-UHFFFAOYSA-N |
| PubChem CID | 522017 |
| EC No. | 210-646-7 |
| DTXSID | DTXSID901018697 |
| Lokaler Name | Propan-1,2,3-triyltriicosanoat |
Chemische & physikalische Eigenschaften
| XLogP | 28,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 78,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 62 |
| Schwere Atome | 69 |
| Formalladung | 0 |
| Komplexität | 975 |
| Stoffklassen | Biological Agents -> Fatty Acids and Fats |
| Lipide | Lipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301] |
| Kosmetika | Cosmetic ingredients (Triarachidin) -> CIR (Cosmetic Ingredient Review)EmulsifyingSkin conditioningEmollient |
| Physical Description | White powder[Sigma-Aldrich MSDS]Solid |
| Collision Cross Section | 349.1 Ų [M+NH4]+ [CCS Type: TIMSMethod: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)] |
| Schmelzpunkt | 75-78 °C |
| Siedepunkt | 863.6±32.0 °C(Predicted) |
| Dichte | 0.903±0.06 g/cm3(Predicted) |
| Lagerbedingungen | −20°C |
| Löslichkeit | Chloroform: 10 mg/ml |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - EMOLLIENTVISCOSITY CONTROLLINGSURFACTANT - EMULSIFYINGSKIN CONDITIONING |
| CAS Datenbank | 620-64-4 |
Sicherheit & Vorschriften
| Regulatorische Informationen | Eicosanoic acid, 1,2,3-propanetriyl ester: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See Arachidic acid. |
| 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 |
| F | 10 |
| Wassergefährdungsklasse (WGK) | - |
| Zollcode | 2915.90.5050 |
Anwendungen & Verwendung
Beschreibung
1,2,3-Triarachidoyl glycerol is a triacylglycerol containing three arachidic acid ( | 21906) groups. It has been found as a component of tomato seed oil.
Verwenden
Triarachidin is a component found in tomato seed oil which exhibites moderate to potent, broad-spectrum antibacterial activities.