HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Acetylcyclohexylacetat
1-acetylcyclohexyl acetate · METHYL1-ACETOXYCYCLOHEXYLKETONE · 1-[1-(Acetyloxy)cyclohexyl]ethanone · Ethanone, 1-1-(acetyloxy)cyclohexyl-
Identifikatoren & physikalische Daten
| CAS No. | 52789-73-8 |
|---|---|
| Summenformel | C10H16O3 |
| Durchschnittliche Molmasse | 184,23 g/mol |
| Monoisotopische Masse | 184,10994437 g/mol |
| SMILES | CC(=O)OC1(C(C)=O)CCCCC1 |
| InChIKey | GIFAYASOTQVRTG-UHFFFAOYSA-N |
| PubChem CID | 62017 |
| ChEBI | CHEBI:169562 |
| EC No. | 258-186-6 |
| DTXSID | DTXSID10200771 |
| Lokaler Name | 1-Acetylcyclohexylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 214 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.041.04±0.1 g/cm3(Predicted) |
| Löslichkeit | slightlyslightly soluble in water, soluble in alcohols and oils(in ethanol) |
| Siedepunkt | 67.00 °C. @ 3.00 mm Hg67 °C (3 mm Hg)84-86 °C(Press: 2.5 Torr) |
| Brechungsindex | 1.46 |
| Physical Description | colourless, oily liquid with a sweet fruity, floral, honey odour |
| FEMA | 3701 | METHYL 1-ACETOXYCYCLOHEXYL KETONE |
| Geruch | at 100.00 %. sweet fruity floral honey fig rose nutty |
| Geruchsart | floral |
| JECFA Number | 442 |
| LogP (Verteilungskoeffizient) | 1.48 |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Ethanone, 1-[1-(acetyloxy)cyclohexyl]-Ethanone, 1-1-(acetyloxy)cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard |
|---|
Anwendungen & Verwendung
Beschreibung
Methyl 1-acetoxycyclohexyl ketone has a sweet, fruity, floral, honey odor.