1,1-Diethoxy-3,7-dimethylocta-2,6-dien
FEMA 2304 · 1,1-Diethoxy-3,7-dim · Citral diethyl aceta · CITRAL DIETHYL ACETAL · Citral diet-llvl acetaI · CITRAL-DIETHYLACETAL 'R' · CITRAL DIETHYL ACETAL 93+% · Citral Diethyl Acetal Natural
Identifikatoren & physikalische Daten
| CAS No. | 7492-66-2 |
|---|---|
| Summenformel | C14H26O2 |
| Durchschnittliche Molmasse | 226,35 g/mol |
| Monoisotopische Masse | 226,19328007 g/mol |
| SMILES | CCOC(C=C(C)CCC=C(C)C)OCC |
| InChIKey | NTXGFKWLJFHGGJ-UHFFFAOYSA-N |
| PubChem CID | 24113 |
| DTXSID | DTXSID1024837 |
| Lokaler Name | 1,1-Diethoxy-3,7-dimethylocta-2,6-dien |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 219 |
| Siedepunkt | 140-142 °C15 mm Hg(lit.) |
| Dichte | 0.875 g/mL at 25 °C(lit.) |
| Dampfdruck | 2.13Pa at 25℃ |
| FEMA | 2304 | CITRAL DIETHYL ACETAL |
| Brechungsindex | n20/D 1.449(lit.) |
| Flammpunkt | 174 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Very slightly soluble in water, soluble in alcohol, fairly soluble in Propylene glycol, miscible with most perfume and flavor oils.1g/L at 25℃ |
| Farbe | Colorless, slightly oily liquid |
| Geruch | Mild and fresh, green-citrusy, almost vegetable-juicy odor with a pleasant, natural oily-fruity undertone. |
| Geruchsart | citrus |
| Biologische Quelle | synthetic |
| JECFA Number | 948 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. May be sensitive to moisture. |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11+ |
| InChIKey | NTXGFKWLJFHGGJ-ACCUITESSA-N |
| SMILES | CCOC(OCC)\C=C(/C)CC\C=C(/C)C |
| LogP (Verteilungskoeffizient) | 4.82 |
| CAS Datenbank | 7492-66-2(CAS DataBase Reference) |
| EPA chemische Informationen | Citral diethyl acetal (7492-66-2) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 2 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1993 |
| RTECS-Nr. | RG5080000 |
| Gefahrenklasse | 3.2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Since Citral Diethyl Acetal is stable in soap, it can be used in such fraBances, but should not be considered anything near a substitute for Citral as an odor. Used in flavor compositions, mainly in Citrus flavors along with natural oils and synthetic flavor chemicals. It will introduce quite natural green-oily, “peel” notes in Lemon and Lime, and it can be twisted into an Orange with the proper background materials. Concentration in the finished product is usually about 100 ppm in condiments, (lower in other products).
Herstellung & Synthese
synthetische
From ethyl orthoformate and citral.