HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzofuran-2-ylmethylketon
Coumarone · 1-(Benzofuran-2-yl)ethan-1-one · 1-(Benzofuran-2-yl)ethanone · tonka ketone · 2-BenzofuranyL · 2-ACETYLBENZO[B]FURAN · 1-(1-BENZOFURAN-2-YL)ETHANONE · Acetylbenzofuran
Identifikatoren & physikalische Daten
| CAS No. | 1646-26-0 |
|---|---|
| Summenformel | C10H8O2 |
| Durchschnittliche Molmasse | 160,17 g/mol |
| Monoisotopische Masse | 160,0524295 g/mol |
| SMILES | CC(=O)c1cc2ccccc2o1 |
| InChIKey | YUTFQTAITWWGFH-UHFFFAOYSA-N |
| PubChem CID | 15435 |
| ChEMBL | CHEMBL561390 |
| EC No. | 216-706-9 |
| DTXSID | DTXSID3061845 |
| Lokaler Name | Benzofuran-2-ylmethylketon |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 188 |
| Duftstoffe | Fragrance Ingredient (1-(2-Benzofuranyl)ethanone) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 2.15 |
| Schmelzpunkt | 70-72 °C(lit.) |
| Siedepunkt | 110-113 °C3 mm Hg(lit.) |
| Dichte | 1.07 g/mL at 25 °C(lit.) |
| Dampfdruck | 0.26Pa at 25℃ |
| Brechungsindex | 1.5300 (estimate) |
| Flammpunkt | >110°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| Geruch | at 10.00 % in dipropylene glycol. sweet coumarinic floral orangeflower tropical neroli lactonic honeysuckle honey |
| Geruchsart | coumarinic |
| Löslichkeit | Insoluble in water. |
| BRN | 117910 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMINGFRAGRANCE |
| InChI | 1S/C10H8O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3 |
| InChIKey | YUTFQTAITWWGFH-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cc2ccccc2o1 |
| LogP (Verteilungskoeffizient) | 1.94 at 20℃ |
| CAS Datenbank | 1646-26-0(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanone, 1-(2-benzofuranyl)-(1646-26-0) |
| EPA chemische Informationen | Ethanone, 1-(2-benzofuranyl)- (1646-26-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (99.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanone, 1-(2-benzofuranyl)-Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22717Ethanone, 1-(2-benzofuranyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | NC Assessments - Ethanone, 1-(2-benzofuranyl)-: Health and Environment |
| Hazard Classes and Categories | Skin Sens. 1 (99.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29329985 |
| RTECS-Nr. | OB1203000 |
| R-Sätze (R) | 40-52 |
| Toxizität | mouse,LD50,intraperitoneal,1200mg/kg (1200mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 383, 1977. |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25-36/37 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Benzofuranyl methyl ketone ( 2-Acetylbenzofuran) has been used to synthesize many benzofuran derivatives. It is also used to prepare fluorinated chalcones.