2-Ethylfuran
Furan, 2-ethyl- · FEMA 3673 · 2-Ethylfurane · 2-ethyl-fura · a-ethylfuran · 2-ETHYLFURAN · 2-ETHYL OXOLE · ETHYLFURAN, 2-
Identifikatoren & physikalische Daten
| CAS No. | 3208-16-0 |
|---|---|
| Summenformel | C6H8O |
| Durchschnittliche Molmasse | 96,13 g/mol |
| Monoisotopische Masse | 96,05751487 g/mol |
| SMILES | CCc1ccco1 |
| InChIKey | HLPIHRDZBHXTFJ-UHFFFAOYSA-N |
| PubChem CID | 18554 |
| ChEMBL | CHEMBL2269084 |
| ChEBI | CHEBI:141565 |
| EC No. | 221-714-0 |
| DTXSID | DTXSID7062906 |
| Lokaler Name | 2-Ethylfuran |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 13,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 52 |
| LogP (Verteilungskoeffizient) | 2.40 |
| Dichte | 0.909-0.9150.912 g/mL at 25 °C (lit.) |
| Löslichkeit | Insoluble in waterSoluble in oilsSoluble (in ethanol)Chloroform (Slightly), Methanol (Slightly) |
| Siedepunkt | 92.00 to 93.00 °C. @ 765.00 mm Hg92-93 °C92-93 °C/768 mmHg (lit.) |
| Brechungsindex | 1.444-1.450n20/D 1.439(lit.) |
| Physical Description | Colourless liquidPowerful, smoky burnt aroma |
| Kovats Retention Index | 676689.8682694733698691692684685.81687.1690705688689.6703720702713700701730704707945950955947956949952962957960964965 |
| Schmelzpunkt | -62.8°C (estimate) |
| FEMA | 3673 | 2-ETHYLFURAN |
| Flammpunkt | 28 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Aggregatzustand | liquid |
| Wichte | 0.912 |
| Farbe | Colorless to Orange to Green |
| Geruch | at 10.00 % in dipropylene glycol. chemical beany ethereal cocoa bready malty coffee nutty |
| Geruchsart | chemical |
| Biologische Quelle | synthetic |
| JECFA Number | 1489 |
| BRN | 105401 |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3 |
| InChIKey | HLPIHRDZBHXTFJ-UHFFFAOYSA-N |
| SMILES | CCc1ccco1 |
| LogP (Verteilungskoeffizient) | 2.40 |
| CAS Datenbank | 3208-16-0(CAS DataBase Reference) |
| NIST chemische Informationen | Furan, 2-ethyl-(3208-16-0) |
| EPA chemische Informationen | Furan, 2-ethyl- (3208-16-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (11.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]H330 (88.9%): Fatal if inhaled [Danger Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P316, P303+P361+P353, P304+P340, P316, P320, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1447 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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: Furan, 2-ethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Furan, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (11.1%)Acute Tox. 3 (88.9%)Acute Tox. 2 (88.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29321900 |
| R-Sätze (R) | 11 |
| Gefahrensymbole | F,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 16-29-33-9 |
| Gefahrenklasse | 3Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
2-Ethylfuran is an empirical isomer of one of the Furanderivatives isolated from the volatile aroma of Coffee (roasted), namely 2,5-dimethylfuran. This Furan is used in imitation Coffee flavour and also occasionally in Caramel flavour. It requires considerable fixation for the latter purpose, due to the volatility of this material, while in Coffee flavor, the most volatile portion is generally the most important portion of the flavor picture. 2-Ethylfuran is produced from Furyl methyl carbinol by dehydration, followed by reduction. The carbinol is obtained by Grignard reaction on Furfural. 2-Ethylfuran is approved by the American F.D.A. as a synthetic flavor or adjuvant.
Occurrence
Reported found in tomato, coffee, peppermint and spearmint oil, Parmesan cheese, bell pepper, cooked egg, smoked fish, roasted chicken, cooked beef, cocoa, coffee, tea, pecans, filberts and soybeans.
Verwenden
2-Ethylfuran was used to investigate the gas phase products formed from the Cl atoms initiated reactions of 2-ethylfuran by in situ long-path FTIR absorption spectroscopy. It was also used in the synthesis of 4-oxo-(E)-2-hexenal via ring opening reaction using aqueous N-bromosuccinimide.
Herstellung & Synthese
synthetische
By dehydration of furyl methyl carbinol followed by reduction.