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Ethylpent-4-en-1-oat
ETHYL PENT-4-ENOATE · Pent-4-enoic aci · ethyl allylacetate · ETHYL 4-PENTENOATE · RARECHEM AL BI 1502 · Ethyl4-Pentenoate>ethyl pent-4-en-1-oate · Ethyl 4-pentenoate, 98+% · Ethyl pent-4-enoate, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 1968-40-7 |
|---|---|
| Summenformel | C7H12O2 |
| Durchschnittliche Molmasse | 128,17 g/mol |
| Monoisotopische Masse | 128,08372962 g/mol |
| SMILES | C=CCCC(=O)OCC |
| InChIKey | PTVSRINJXWDIKP-UHFFFAOYSA-N |
| PubChem CID | 74786 |
| ChEBI | CHEBI:173494 |
| EC No. | 217-818-0 |
| DTXSID | DTXSID7062089 |
| Lokaler Name | Ethylpent-4-en-1-oat |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 97,1 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
| SpringerMaterials Properties | Chemical shift |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.893-0.9030,9 g/cm3 |
| Löslichkeit | Insoluble in watersoluble in propylene glycolSoluble (in ethanol)Miscible with alcohol. Immiscible with water. |
| Siedepunkt | 143-145 °C40°C 25mm |
| Brechungsindex | 1.410-1.4201.4170 |
| Physical Description | Colourless liquidGreen fruity aroma |
| FEMA | 4360 | ETHYL 4-PENTENOATE |
| Flammpunkt | 37°C |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Geruch | at 100.00 %. warm green herbal fruity caramel |
| Geruchsart | ethereal |
| JECFA Number | 1618 |
| BRN | 1751643 |
| LogP (Verteilungskoeffizient) | 1.99 |
| CAS Datenbank | 1968-40-7(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Pentenoic acid, ethyl ester (1968-40-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (83.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 4-Pentenoic acid, ethyl ester4-Pentenoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (83.3%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3272 |
| Zollcode | 29153900 |
| R-Sätze (R) | 10-36 |
| Sicherheitshinweise (S) | 16-26-60-43-33-7 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Ethyl 4-pentenoate is found in leaf oil of Prunus phaeosticta phaeosticta from Taiwan. It is also used in the preparation of 5-iodomethyl-dihydro-furan-2-one by reacting with iodine.