HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(±)-3-(Hexadecyloxy)propan-1,2-diol
DL-Testriol · CHIMYL ALCOHOL · Einecs 228-149-9 · DL-CHIMYL ALCOHOL · 1-O-palmitylglycerol · 1-O-Hexadecylglycerin · DL-α-Hexadecylglycerol · alpha-hexadecylglycerol
Identifikatoren & physikalische Daten
| CAS No. | 10550-58-0 |
|---|---|
| Summenformel | C19H40O3 |
| Durchschnittliche Molmasse | 316,5 g/mol |
| Monoisotopische Masse | 316,29774514 g/mol |
| SMILES | CCCCCCCCCCCCCCCCOCC(O)CO |
| InChIKey | OOWQBDFWEXAXPB-UHFFFAOYSA-N |
| PubChem CID | 72733 |
| ChEMBL | CHEMBL142186 |
| ChEBI | CHEBI:76061 |
| EC No. | 228-149-9 |
| DTXSID | DTXSID80862067 |
| Lokaler Name | (±)-3-(Hexadecyloxy)propan-1,2-diol |
Chemische & physikalische Eigenschaften
| XLogP | 6,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 18 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 197 |
| Kosmetika | Cosmetic ingredients (Cetyl Glyceryl Ether) -> CIR (Cosmetic Ingredient Review)EmollientSkin conditioning |
| Schmelzpunkt | 60-65 °C |
| Siedepunkt | 445.2±25.0 °C(Predicted) |
| Dichte | 0.920±0.06 g/cm3(Predicted) |
| Lagerbedingungen | −20°C |
| pKa (Säurekonstante) | 13.68±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGVISCOSITY CONTROLLING |
| LogP (Verteilungskoeffizient) | 6.670 (est) |
| CAS Datenbank | 6145-69-3 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 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 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
Anwendungen & Verwendung
Verwenden
1-O-Hexadecyl-rac-glycerol is used in the synthesis of N-linked and diglycosylated glucosamine-based glycerolipids as antitumor agents.