Ethyl-3-cyclohexylpropionat
NSC-71463 · FEMA 2431 · Ethyl cyclohexanepropionate · ethyl3-cyclohexylpropionate · Ethyl3-cyclohexylpropanoate · ETHYL CYCLOHEXANEPROPIONATE 99+% · cyclohexanepropanoicacid,ethylester · 3-Cyclohexyl-propionicacidethylester
Identifikatoren & physikalische Daten
| CAS No. | 10094-36-7 |
|---|---|
| Summenformel | C11H20O2 |
| Durchschnittliche Molmasse | 184,27 g/mol |
| Monoisotopische Masse | 184,14632988 g/mol |
| SMILES | CCOC(=O)CCC1CCCCC1 |
| InChIKey | NRVPMFHPHGBQLP-UHFFFAOYSA-N |
| PubChem CID | 61466 |
| ChEBI | CHEBI:171838 |
| EC No. | 233-222-3 |
| DTXSID | DTXSID00143587 |
| Lokaler Name | Ethyl-3-cyclohexylpropionat |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 148 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
| SpringerMaterials Properties | Chemical shift |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.926-0.9320.94 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Insoluble in watersoluble in oilsMiscible at room temperature (in ethanol)Almost insoluble in water, soluble in alcohol and oils. |
| Siedepunkt | 91.00 to 94.00 °C. @ 8.00 mm Hg91 °C (8 mm Hg)91-94 °C8 mm Hg(lit.) |
| Brechungsindex | 1.444-1.452n20/D 1.448(lit.) |
| Physical Description | Colourless, oily liquidfruity odour of pear-peach-banana type |
| FEMA | 2431 | ETHYL CYCLOHEXANEPROPIONATE |
| Flammpunkt | 122 °F |
| Lagerbedingungen | Store at 0-8 °C |
| Farbe | Colorless liquid |
| Geruch | at 10.00 % in dipropylene glycol. powerful fruity sweet pineapple peach pear |
| Geruchsart | fruity |
| JECFA Number | 966 |
| InChI | InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3 |
| InChIKey | NRVPMFHPHGBQLP-UHFFFAOYSA-N |
| SMILES | C1(CCC(OCC)=O)CCCCC1 |
| LogP (Verteilungskoeffizient) | 3.83 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexanepropanoic acid, ethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Cyclohexanepropanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3272 3/PG 3 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16 |
| Gefahrenklasse | 3.2 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Sweet and fruity taste in dilutions of about 10 ppm. The power is considerably greater than that of the conventional alifatic esters. This ester is used in Europe and other countries in flavor compositions for candy, etc. In fact, the esters of Cyclohexane acetic acid, Cyclohexane propionic acid and a few homologucs, are quite popular outside of the United States of America. They are usually applied in conjunction with the lower alifatic esters to increase the overall power of the flavor.
Herstellung & Synthese
synthetische
By esterification of ethyl cyclohexanol with propionic acid or anhydride.