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Ethylcyclohexancarboxylat
ETHYL CYCLOHEXANECARBOXYLATE · FEMA 3544 · RARECHEM AL BI 0002 · CARBETHOXYCYCLOHEXANE · Ethyl hexahydrobenzoate · cyclohexylethyl formate · ethoxycarbonylcyclohexane · ETHYLCYCLOHEXYLMETHANOATE
Identifikatoren & physikalische Daten
| CAS No. | 3289-28-9 |
|---|---|
| Summenformel | C9H16O2 |
| Durchschnittliche Molmasse | 156,22 g/mol |
| Monoisotopische Masse | 156,11502975 g/mol |
| SMILES | CCOC(=O)C1CCCCC1 |
| InChIKey | JJOYCHKVKWDMEA-UHFFFAOYSA-N |
| PubChem CID | 18686 |
| ChEBI | CHEBI:88965 |
| EC No. | 221-945-7 |
| DTXSID | DTXSID7062958 |
| Lokaler Name | Ethylcyclohexancarboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| 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 |
| Duftstoffe | Fragrance Ingredient (Ethyl cyclohexanecarboxylate) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.966-0.978 (20 °C)0,936 g/cm3 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Insoluble in watersoluble in fatMiscible at room temperature (in ethanol)Insoluble in water. |
| Siedepunkt | 82.00 °C. @ 12.00 mm Hg82 °C (12 mm Hg)194-196°C |
| Brechungsindex | 1.447-1.4541.4420 |
| Physical Description | Liquidcheese-like odour |
| Schmelzpunkt | 120 °C |
| FEMA | 3544 | ETHYL CYCLOHEXANECARBOXYLATE |
| Flammpunkt | 194-196°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Geruch | at 100.00 %. fruity cheese winey |
| Geruchsart | cheesy |
| JECFA Number | 963 |
| BRN | 2042698 |
| LogP (Verteilungskoeffizient) | 2.77 |
| CAS Datenbank | 3289-28-9(CAS DataBase Reference) |
| NIST chemische Informationen | Ethyl cyclohexanecarboxylate(3289-28-9) |
| EPA chemische Informationen | Cyclohexanecarboxylic acid, ethyl ester (3289-28-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.9% (90 of 91) of all reports.Not ClassifiedAggregated GHS information provided per 91 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexanecarboxylic acid, ethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Cyclohexanecarboxylic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2916200090 |
| RTECS-Nr. | GU8490000 |
| Sicherheitshinweise (S) | 23-24/25 |
Anwendungen & Verwendung
Occurrence
Reported found in rum.
Verwenden
Ethyl cyclohexanecarboxylate is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.