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Ethyldecanoat
ETHYL DECANOATE · DECANOIC ACID ETHYL ESTER · Ethyl Decenoate · FEMA 2432 · ETHYL DECYLATE · ETHYL CAPRINATE · Decanoic acid ethyl · Zolpidemum
Identifikatoren & physikalische Daten
| CAS No. | 110-38-3 |
|---|---|
| Summenformel | C12H24O2 |
| Durchschnittliche Molmasse | 200,32 g/mol |
| Monoisotopische Masse | 200,17763 g/mol |
| SMILES | CCCCCCCCCC(=O)OCC |
| InChIKey | RGXWDWUGBIJHDO-UHFFFAOYSA-N |
| PubChem CID | 8048 |
| ChEMBL | CHEMBL3184829 |
| ChEBI | CHEBI:87430 |
| EC No. | 203-761-9 |
| DTXSID | DTXSID0044363 |
| Lokaler Name | Ethyldecanoat |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 132 |
| Dichte | 0.863-0.8680.862 g/mL at 25 °C |
| Löslichkeit | 0.0159 mg/mL at 25 °CSoluble in most fixed oils, insoluble in glycerol and propylene glycol1ml in 4ml 80% ethanol (in ethanol)H2O: insoluble |
| Siedepunkt | 241.00 to 245.00 °C. @ 760.00 mm Hg243 °C245 °C(lit.) |
| Schmelzpunkt | -20 °C-20°C |
| Brechungsindex | 1.424-1.427n20/D 1.425 |
| Physical Description | LiquidColourless liquid with an oily brandy-like odour |
| Kovats Retention Index | 136713821383137713811386137913781380137613851392.213951393139613731399.113971405139416421647163816481633163016351622160616441639159516601625164516291634 |
| Collision Cross Section | 154.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0044363] |
| Dampfdichte | 6.9 (vs air) |
| Dampfdruck | 1.8Pa at 20℃ |
| FEMA | 2432 | ETHYL DECANOATE |
| Flammpunkt | 216 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Geruch | at 100.00 %. sweet waxy fruity apple grape oily brandy |
| Geruchsart | waxy |
| Biologische Quelle | synthetic |
| Explosionsgrenze | 0.7%(V) |
| Merck | 14,3776 |
| JECFA Number | 35 |
| BRN | 1762128 |
| Henry-Konstante | 1.2×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004) |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONINGPERFUMINGSKIN CONDITIONING - EMOLLIENT |
| InChI | 1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3 |
| InChIKey | RGXWDWUGBIJHDO-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCC(=O)OCC |
| LogP (Verteilungskoeffizient) | 4.79 |
| CAS Datenbank | 110-38-3(CAS DataBase Reference) |
| NIST chemische Informationen | Decanoic acid, ethyl ester(110-38-3) |
| EPA chemische Informationen | Ethyl decanoate (110-38-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (1642 of 1642) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 1642 of 1642 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 1642 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 1642 of 1642 reports by companies.There are 0 notifications provided by 0 of 1642 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Decanoic acid, ethyl esterStatus: Active Update: 21-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24031Ethyl decanoate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Decanoic acid, ethyl ester: Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29159080 |
| RTECS-Nr. | HD9420000 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Selbstentzündungstemperatur | 310°C |
Anwendungen & Verwendung
Occurrence
Reported found in cognac, apple, banana, cherry, citrus, grape, melon, pear, pinapple, and more.
Verwenden
manufacture of wine bouquets, cognac essence.
Herstellung & Synthese
synthetische
Ethyl decanoate is prepared by esterification of decanoic acid and ethyl alcohol in the presence of HCl or H2SO4.