Ethyllaurat
ETHYL DODECANOATE · DODECANOIC ACID ETHYL ESTER · LAURIC ACID ETHYL ESTER · FEMA 2441 · Dodecanoic acid ethyl · Ethyl laurinate · Ethyllaurat · hyl laurate
Identifikatoren & physikalische Daten
| CAS No. | 106-33-2 |
|---|---|
| Summenformel | C14H28O2 |
| Durchschnittliche Molmasse | 228,37 g/mol |
| Monoisotopische Masse | 228,20893014 g/mol |
| SMILES | CCCCCCCCCCCC(=O)OCC |
| InChIKey | MMXKVMNBHPAILY-UHFFFAOYSA-N |
| PubChem CID | 7800 |
| ChEMBL | CHEMBL3187842 |
| ChEBI | CHEBI:87427 |
| EC No. | 203-386-0 |
| DTXSID | DTXSID4047044 |
| Lokaler Name | Ethyllaurat |
Chemische & physikalische Eigenschaften
| XLogP | 5,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 155 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
| Kosmetika | Emollient |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (Ethyl laurate) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 5.71 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.858-0.863 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Soluble in ether, insoluble in water1ml in 9ml 80% ethanol (in ethanol)Chloroform, Ethyl Acetate |
| Siedepunkt | 269.00 to 271.00 °C. @ 760.00 mm Hg269 °C269 °C(lit.) |
| Schmelzpunkt | -10 °C |
| Brechungsindex | 1.430-1.434n20/D 1.432 |
| Dampfdruck | 0.1 hPa (60 °C) |
| FEMA | 2441 | ETHYL LAURATE |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| Geruch | at 100.00 %. sweet waxy floral soapy clean |
| Geruchsart | waxy |
| Biologische Quelle | synthetic |
| JECFA Number | 37 |
| Merck | 14,3818 |
| BRN | 1769671 |
| Henry-Konstante | 7.7×10-3 mol/(m3Pa) at 25℃, Krop and Velzen (1997) |
| Dielektrizitätskonstante | 2.7(142℃) |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMINGSKIN CONDITIONING - EMOLLIENT |
| InChI | 1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3 |
| InChIKey | MMXKVMNBHPAILY-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCC(=O)OCC |
| LogP (Verteilungskoeffizient) | 6.02 |
| CAS Datenbank | 106-33-2(CAS DataBase Reference) |
| NIST chemische Informationen | Dodecanoic acid, ethyl ester(106-33-2) |
| EPA chemische Informationen | Dodecanoic acid, ethyl ester (106-33-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 97.6% (1620 of 1659) of all reports.Not ClassifiedAggregated GHS information provided per 1659 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Dodecanoic acid, ethyl esterStatus: Active Update: 22-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26612Dodecanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Dodecanoic acid, ethyl ester: Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29341000 |
| Toxizität | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Selbstentzündungstemperatur | >300 °C |
Anwendungen & Verwendung
Beschreibung
Lauric acid is a common 12-carbon saturated fatty acid plentiful in coconut and other nut oils. Saturated fatty acids induce the expression of cyclooxygenase-2, an effect that is significant at 25 μM in RAW 264.7 cells, with lauric acid being the most potent of the C:8-18 fatty acids. Ethyl laurate is a more lipophilic and less toxic form of the free acid. It is one of the medium-chain fatty acid ethyl esters that is released during the anaerobic fermentation of Saccharomyces cerevisiae along with the free acid.
Occurrence
Reported found in bourbon, Irish whiskey, white wine, apple, apple juice, melon, pineapple, crispbread, blue cheese, cheddar cheese, Swiss and other cheeses, butter, milk, pork liver, beer, cognac, rum, whiskey, cider, sherry, grape wines, cocoa, coconut meat, passion fruit juice, mango, fruit brandies, loquat and pawpaw.
Verwenden
Ethyl Dodecanoate is a natural food flavor ingredient, and a component of essential fatty acids.
Herstellung & Synthese
synthetische
Ethyl laurate is prepared from lauroyl chloride and ethyl alcohol in the presence of Mg in ether solution, or by transesterification of coconut oil with ethyl alcohol in the presence of HCl.