HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(2-Methoxyphenyl)ethan-1-on
1-(2-methoxyphenyl)ethan-1-one · O-METHOXYACETOPHENONE · 1-(2-METHOXYPHENYL)ETHANONE · O-ACETANISOLE · 2-ACETANISOLE · 2-[2-(4’2-ACETOANISOLE · O-ACETYLANISOLE · 2-ACETYLANISOLE
Identifikatoren & physikalische Daten
| CAS No. | 579-74-8 |
|---|---|
| Summenformel | C9H10O2 |
| Durchschnittliche Molmasse | 150,17 g/mol |
| Monoisotopische Masse | 150,06807956 g/mol |
| SMILES | COc1ccccc1C(C)=O |
| InChIKey | DWPLEOPKBWNPQV-UHFFFAOYSA-N |
| PubChem CID | 68481 |
| ChEMBL | CHEMBL5280089 |
| EC No. | 209-446-2 |
| DTXSID | DTXSID8060375 |
| Lokaler Name | 1-(2-Methoxyphenyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 142 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.82 |
| Dichte | 1.088-1.0921.09 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Practically insoluble or insoluble in waterSoluble (in ethanol)Chloroform (Sparingly), Methanol (Sparingly)immiscible |
| Siedepunkt | 245.00 to 248.00 °C. @ 760.00 mm Hg245-248 °C131 °C18 mm Hg(lit.) |
| Brechungsindex | 1.536-1.542n20/D 1.5393(lit.) |
| Physical Description | Light yellowish liquidSpicy mint-like aroma |
| Schmelzpunkt | 117–119°C |
| FEMA | 4163 | 2-METHOXYACETOPHENONE |
| Flammpunkt | 228 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear slightly yellow to orange or slightly brown |
| Geruch | at 1.00 % in propylene glycol. powdery anisic almond phenolic |
| Geruchsart | anisic |
| JECFA Number | 2042 |
| BRN | 1100602 |
| Henry-Konstante | 1.7×101 mol/(m3Pa) at 25℃, Ji et al. (2008) |
| LogP (Verteilungskoeffizient) | 1.82 |
| CAS Datenbank | 579-74-8(CAS DataBase Reference) |
| NIST chemische Informationen | Ortho-methoxyacetophenone(579-74-8) |
| EPA chemische Informationen | Ethanone, 1-(2-methoxyphenyl)- (579-74-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanone, 1-(2-methoxyphenyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012) |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29145000 |
| R-Sätze (R) | 22-36/38-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 37/39-26-36 |
Anwendungen & Verwendung
Verwenden
2''-Methoxyacetophenone is a useful building block, often used in the preparation of chalcones, such as the chalcones of 3-benzylidene-2-chlorocyclohex-1-enecarbaldehyde for use as potential anti-proliferative agents.
Herstellung & Synthese
synthetische
Preparation by reaction of dimethyl sulfate with o-hydroxyacetophenone in the presence of sodium hydroxide.