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Decylformiat
Formic acid, decyl ester · decyl methanoate · ecylformate · decyl formate
Identifikatoren & physikalische Daten
| CAS No. | 5451-52-5 |
|---|---|
| Summenformel | C11H22O2 |
| Durchschnittliche Molmasse | 186,29 g/mol |
| Monoisotopische Masse | 186,16197994 g/mol |
| SMILES | CCCCCCCCCCOC=O |
| InChIKey | BCLJZFLDSCTULJ-UHFFFAOYSA-N |
| PubChem CID | 79541 |
| ChEBI | CHEBI:179392 |
| EC No. | 226-682-1 |
| DTXSID | DTXSID7063897 |
| Lokaler Name | Decylformiat |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 102 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -29.1°C (estimate) |
| Siedepunkt | 220.8°C (estimate) |
| Dichte | 0.8726 (estimate) |
| Brechungsindex | 1.4271 |
| Löslichkeit | Very slightly soluble in water, soluble in alcohol and oils. |
| Farbe | Colorless iiquid |
| Geruch | Light, fruity, almost sharp odor with floral, Honey suckle-Orangeblossom character. |
| Geruchsart | floral |
| Henry-Konstante | 1.5×10-3 mol/(m3Pa) at 25℃, Yaws (2003) |
| LogP (Verteilungskoeffizient) | 4.453 (est) |
| EPA chemische Informationen | Formic acid, decyl ester (5451-52-5) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Formic acid, decyl esterFormic acid, decyl ester: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Interesting for Orangeblossom, NeroIi, Violet. Rose and, in general as a modifier in heavy floral or Oriental fragrance types. Decyl formate blends Jery well with Opopatmx, Sandalwood, Rose materials, Ionones and Citrus oils. For Orris bases it lends the fresh-oily notes that help change Ionones into more “orrisy“notes. Occasionally used in flavor compositions for imitation Cherry, Plum, Raspberry, Orange. etc.