HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
O-Methylbenzoin
qcu3 · nissocurembo · methylbenzoin · Methyl benzoin · O-Methylbenzoin · Benzoinemethylether · Benzoin methyl ester · Methyl benzoin ether
Identifikatoren & physikalische Daten
| CAS No. | 3524-62-7 |
|---|---|
| Summenformel | C15H14O2 |
| Durchschnittliche Molmasse | 226,27 g/mol |
| Monoisotopische Masse | 226,09937969 g/mol |
| SMILES | COC(C(=O)c1ccccc1)c1ccccc1 |
| InChIKey | BQZJOQXSCSZQPS-UHFFFAOYSA-N |
| PubChem CID | 98097 |
| EC No. | 222-538-7 |
| DTXSID | DTXSID60871031 |
| Lokaler Name | O-Methylbenzoin |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 237 |
| LogP (Verteilungskoeffizient) | 1.38 |
| Schmelzpunkt | 47.5-48.5 °C (lit.) |
| Siedepunkt | 188-189 °C (15 mmHg) |
| Dichte | 1.128 |
| Brechungsindex | 1.6530 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Soluble in methanol. |
| Aggregatzustand | powder |
| Farbe | White to Almost white |
| Merck | 14,1093 |
| BRN | 2052112 |
| InChI | 1S/C15H14O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3 |
| InChIKey | BQZJOQXSCSZQPS-UHFFFAOYSA-N |
| SMILES | COC(C(=O)c1ccccc1)c2ccccc2 |
| CAS Datenbank | 3524-62-7(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanone, 2-methoxy-1,2-diphenyl- (3524-62-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29145000 |
| RTECS-Nr. | AM9350000 |
| R-Sätze (R) | 22 |
| Toxizität | LD50 oral in mouse: 300mg/kg |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | 6.1Acute Tox. 3 Oral |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Benzoin methyl ether is used in UV curing inks, wood coatings, paper coatings, optical fiber, PCB, screen printing , paper varnish and other surface coatings. It is used for anticratering in powder coatings.