HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(2-Furyl)acrylsure
Furanacrylic acid · 2-PROPENOIC ACID, 3-(2-FURANYL)- · Furyl Acid · 3-(2-Furyl)acr · AKOS AU36-M220 · Furacrylic aci · FURACRYLIC ACID · Furyl)acrylic ac
Identifikatoren & physikalische Daten
| CAS No. | 539-47-9 |
|---|---|
| Summenformel | C7H6O3 |
| Durchschnittliche Molmasse | 138,12 g/mol |
| Monoisotopische Masse | 138,03169405 g/mol |
| SMILES | O=C(O)C=Cc1ccco1 |
| InChIKey | ZCJLOOJRNPHKAV-UHFFFAOYSA-N |
| PubChem CID | 10876 |
| EC No. | 208-718-8 |
| DTXSID | DTXSID9060233 |
| Lokaler Name | 3-(2-Furyl)acrylsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 151 |
| Schmelzpunkt | 139-141 °C (lit.) |
| Siedepunkt | 286 °C (lit.) |
| Dichte | 1.2667 (rough estimate) |
| Brechungsindex | 1.4600 (estimate) |
| Flammpunkt | 286°C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Soluble in dichloromethane and diethyl ether.2g/L(20 ºC) |
| pKa (Säurekonstante) | 4.39±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale Beige |
| Merck | 14,4297 |
| BRN | 81046 |
| Stabilität | Light Sensitive |
| InChI | 1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+ |
| InChIKey | ZCJLOOJRNPHKAV-ONEGZZNKSA-N |
| SMILES | OC(=O)\C=C\c1ccco1 |
| LogP (Verteilungskoeffizient) | 1.204 (est) |
| CAS Datenbank | 539-47-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Propenoic acid, 3-(2-furanyl)-(539-47-9) |
| EPA chemische Informationen | 2-Propenoic acid, 3-(2-furanyl)- (539-47-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propenoic acid, 3-(2-furanyl)-Furanacrylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29321900 |
| RTECS-Nr. | LT8560000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-(2-Furyl)acrylic acid is derivatives used in perfumes.