HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hexadecan-1,16-diol
CETYL GLYCOL · Ai3-14193 · Nsc 71525 · Einecs 230-030-1 · Hexadecan-1,2-diol · 1,2-HEXADECANEDIOL · 1,2-Hexadecanediol>2-Hydroxycetyl alcohol · 1,2-Hexadecylene glycol
Identifikatoren & physikalische Daten
| CAS No. | 6920-24-7 |
|---|---|
| Summenformel | C16H34O2 |
| Durchschnittliche Molmasse | 258,44 g/mol |
| Monoisotopische Masse | 258,25588033 g/mol |
| SMILES | CCCCCCCCCCCCCCC(O)CO |
| InChIKey | BTOOAFQCTJZDRC-UHFFFAOYSA-N |
| PubChem CID | 98037 |
| ChEBI | CHEBI:75586 |
| EC No. | 230-030-1 |
| DTXSID | DTXSID60884343 |
| Lokaler Name | Hexadecan-1,16-diol |
Chemische & physikalische Eigenschaften
| XLogP | 6,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 14 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 148 |
| Stoffklassen | Other Classes -> Other Organic Compounds |
| Kosmetika | Cosmetic ingredients (Cetyl Glycol) -> CIR (Cosmetic Ingredient Review)Hair conditioningEmollient |
| Physical Description | White solidSlightly soluble in water[MSDSonline] |
| Schmelzpunkt | 68-72 °C (lit.) |
| Siedepunkt | 310.3°C (rough estimate) |
| Dichte | 0.8878 (rough estimate) |
| Brechungsindex | 1.4731 (estimate) |
| Flammpunkt | 183 °C |
| Lagerbedingungen | Storage temp. 2-8°C |
| Löslichkeit | Ethanol: Slightly soluble: 0.1-1 mg/ml |
| pKa (Säurekonstante) | 14.45±0.20(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 1722206 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | VISCOSITY CONTROLLINGHAIR CONDITIONINGSKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING |
| InChI | InChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16-18H,2-15H2,1H3 |
| InChIKey | BTOOAFQCTJZDRC-UHFFFAOYSA-N |
| SMILES | C(O)C(O)CCCCCCCCCCCCCC |
| LogP (Verteilungskoeffizient) | 5.615 (est) |
| EPA chemische Informationen | 1,2-Hexadecanediol (6920-24-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-HexadecanediolPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.1,2-hexadecane diol: 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 | An irritant[MSDSonline] |
| Hazard Classes and Categories | Not Classified |
| 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) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29053990 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,2-Hexadecanediol was used as reducing agent in the preparation of silver nanocrystals from a dichlorobenzene solution containing oleyl amine as a surfactant. It was also used in the preparation of:Au-Fe3O4 hetero-dimersiron pyrite nanocrystalsmonodisperse iron platinum nanoparticles