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Cyclohexylpropionat
AI317708 · AI3 17708 · FEMA 2354 · FEMA 2345 · AI3-17708 · Cyclohexyl propanoate · Cyclohexyl propionate · Cyclohexyl n-propionate
Identifikatoren & physikalische Daten
| CAS No. | 6222-35-1 |
|---|---|
| Summenformel | C9H16O2 |
| Durchschnittliche Molmasse | 156,22 g/mol |
| Monoisotopische Masse | 156,11502975 g/mol |
| SMILES | CCC(=O)OC1CCCCC1 |
| InChIKey | MAMMVUWCKMOLSG-UHFFFAOYSA-N |
| PubChem CID | 61375 |
| ChEBI | CHEBI:171769 |
| EC No. | 228-303-5 |
| DTXSID | DTXSID20211277 |
| Lokaler Name | Cyclohexylpropionat |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 126 |
| SpringerMaterials Properties | Dielectric constant |
| Lebensmittelzusatzstoffe | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.969-0.9740.954 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in waterMiscible at room temperature (in ethanol)Chloroform, Methanol (Slightly) |
| Siedepunkt | 193 °C72-73 °C10 mm Hg(lit.) |
| Brechungsindex | 1.439-1.446n20/D 1.441(lit.) |
| Physical Description | Colourless liquidapple- and banana-like aroma |
| FEMA | 2354 | CYCLOHEXYL PROPIONATE |
| Flammpunkt | 154 °F |
| Lagerbedingungen | Refrigerator |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| Geruch | at 100.00 %. sweet fruity banana green waxy |
| Geruchsart | fruity |
| Biologische Quelle | synthetic |
| JECFA Number | 1097 |
| Stabilität | Volatile |
| LogP (Verteilungskoeffizient) | 3.13 |
| CAS Datenbank | 6222-35-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.Not ClassifiedAggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, cyclohexyl esterRegulation (EC) No 1334/2008 (amended)Propanoic acid, cyclohexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2916200090 |
Anwendungen & Verwendung
Verwenden
Cyclohexyl Propionate is a synthetic flavoring agent that is a sta- ble, colorless liquid of fruity odor. it is stored in glass or tin contain- ers. it is used in fruit flavors such as pineapple with applications in beverages, candy, ice cream, and baked goods at approximately 3 ppm.
Herstellung & Synthese
synthetische
By direct esterification of the alcohol with the acid in the presence of concentrated sulfuric acid or in the presence of benzene.