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Diacetin
1,2-Diacetin · Acetin, 1,2-di- · 1,2-Diacetylglycerol · Glyceryl 1,2-diacetate · 2,3-Diacetoxypropan-1-ol · Ethyl Acetate Impurity 17 · (Hydroxymethyl)ethylene acetate · 1,2,3-Propanetriol 1,2-diacetate
Identifikatoren & physikalische Daten
| CAS No. | 101364-64-1 |
|---|---|
| Summenformel | C7H12O5 |
| Durchschnittliche Molmasse | 176,17 g/mol |
| Monoisotopische Masse | 176,06847348 g/mol |
| SMILES | CC(=O)OCC(CO)OC(C)=O |
| InChIKey | UXDDRFCJKNROTO-UHFFFAOYSA-N |
| PubChem CID | 66021 |
| ChEBI | CHEBI:173246 |
| EC No. | 246-941-2 |
| DTXSID | DTXSID70883105 |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 165 |
| Kosmetika | Solvent |
| Duftstoffe | Fragrance Ingredient (1,2,3-Propanetriol, diacetate) -> IFRA transparency List |
| Löslichkeit | Soluble in water. Miscible with ethanolChloroform (Slightly), DMSO (Sparingly), Ethyl Acetate (Slightly) |
| Physical Description | Clear, colourless, hygroscopic, somewhat oily liquid with a slight, fatty odour |
| Schmelzpunkt | 40°C |
| Siedepunkt | 280°C (estimate) |
| Dichte | 1.1780 |
| Brechungsindex | 1.4350 (estimate) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 13.97±0.10(Predicted) |
| Farbe | Colourless |
| Stabilität | Hygroscopic, Temperature Sensitive |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 99.4% (176 of 177) of all reports.Not ClassifiedAggregated GHS information provided per 177 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2,3-Propanetriol, diacetate1,2,3-Propanetriol, diacetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetriol, diacetate 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)1,2,3-Propanetriol, diacetate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
1,2-Diacetin is a derivative of Triacetin (T720850) which is used as a food additive and flavorings. Triacetin can be used as an excipient in pharmaceutical products where it is used as a humectant, a plasticizer, and as a solvent. Triacetin can also be used as a fuel additive as an antiknock agent.