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Ethyl 2-cyclohexylpropionate
POIRENATE · ethyl 2-cyclohexylpropanoate · ETHYL CYCLOHEXYL PROPIONATE · Ethyl 2-cyclohexyl propionate · α-methyl-Cyclohexaneacetic acid, ethyl ester · Cyclohexaneacetic acid, α-methyl-, ethyl ester · Cyclohexaneacetic acid, .alpha.-methyl-, ethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 2511-00-4 |
|---|---|
| Summenformel | C11H20O2 |
| Durchschnittliche Molmasse | 184,27 g/mol |
| Monoisotopische Masse | 184,14632988 g/mol |
| SMILES | CCOC(=O)C(C)C1CCCCC1 |
| InChIKey | PZUDDXJZNSJESK-UHFFFAOYSA-N |
| PubChem CID | 160641 |
| EC No. | 412-280-5 |
| DTXSID | DTXSID90862977 |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 159 |
| Duftstoffe | Fragrance Ingredient (Cyclohexaneacetic acid, .alpha.-methyl-, ethyl ester) -> IFRA transparency List |
| Siedepunkt | 100 °C(Press: 15 Torr) |
| Dichte | 0.944±0.06 g/cm3(Predicted) |
| Dampfdruck | 21.9Pa at 25℃ |
| Geruch | at 100.00 %. fruity green pear |
| Geruchsart | fruity |
| Kosmetik-Inhaltsstoffe Funktionen | FRAGRANCE |
| LogP (Verteilungskoeffizient) | 4.03 at 25℃ |
| Oberflächenspannung | 64.9mN/m at 1.3g/L and 22℃ |
| EPA chemische Informationen | Cyclohexaneacetic acid, .alpha.-methyl-, ethyl ester (2511-00-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.8% (11 of 1375) of reports.H411 (99.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]Aggregated GHS information provided per 1375 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexaneacetic acid, .alpha.-methyl-, ethyl esterPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 17-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11281Cyclohexaneacetic acid, .alpha.-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Aquatic Chronic 2 (99.2%)Aquatic Chronic 2 (100%)Hazardous to the aquatic environment (chronic) - category 2Aquatic Chronic 2 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 51/53 |
| Toxizität | rat,LC50,inhalation,> 5400mg/m3/4H (5400mg/m3),LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATIONBEHAVIORAL: FOOD INTAKE (ANIMAL),National Technical Information Service. Vol. OTS0573820, |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 61 |
Anwendungen & Verwendung
Verwenden
Ethyl cyclohexane propionate is suggested for use in perfumery, mainly in fragrances for household products, where power and low cost partly monitor the creation. lt finds some use in flavor compositions, mainly as a power factor in Pineapple imitations, and as a modifier for the conventional Allylcaproate and Allyl cyclohexane propionate. It is sweeter than both, but less typical of Pineapple.