HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Allyl-2-furoat
NSC 18604 · FEMA 2030 · ALLYL FUROATE · 2-ALLYL FUROATE · Allyl 2-furoate · ALLYL 2-FUROATE 98+% · Allyl 2-furancarboxylate · Allyl furan-2-carboxylate
Identifikatoren & physikalische Daten
| CAS No. | 4208-49-5 |
|---|---|
| Summenformel | C8H8O3 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,04734411 g/mol |
| SMILES | C=CCOC(=O)c1ccco1 |
| InChIKey | SJRQTHAMRUOPBJ-UHFFFAOYSA-N |
| PubChem CID | 61337 |
| ChEMBL | CHEMBL2268884 |
| ChEBI | CHEBI:173650 |
| EC No. | 224-128-3 |
| DTXSID | DTXSID6063353 |
| Lokaler Name | Allyl-2-furoat |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 153 |
| SpringerMaterials Properties | Optical coefficient |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.181 (23 °C)1.181 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | (in ethanol) |
| Siedepunkt | 206.00 to 209.00 °C. @ 760.00 mm Hg206-209 °C206-209 °C (lit.) |
| Brechungsindex | 1.4945n20/D 1.495(lit.) |
| Physical Description | Colourless or pale straw liquid which darkens when exposed to air and daylight: has a caramelic, fruity odour |
| Schmelzpunkt | 209 °C |
| FEMA | 2030 | ALLYL 2-FUROATE |
| Flammpunkt | 205 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Geruch | at 100.00 %. caramel fruity jam |
| Biologische Quelle | synthetic |
| Geruchsart | caramellic |
| JECFA Number | 21 |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2 |
| InChIKey | SJRQTHAMRUOPBJ-UHFFFAOYSA-N |
| SMILES | C=CCOC(=O)c1ccco1 |
| LogP (Verteilungskoeffizient) | 1.80 |
| EPA chemische Informationen | 2-Furancarboxylic acid, 2-propenyl ester (4208-49-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Regulatorische Informationen | Chemical: 2-Furancarboxylic acid, 2-propenyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Furancarboxylic acid, 2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
Reported found in grilled and roasted beef and shoyu (fermented soya hydrolysate).