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1-(3-Methoxyphenyl)aceton
1-methoxy-1-phenyl-2-propanone · 3-Methoxyphenylacetone · M-METHOXYPHENYL ACETONE · meta-anisyl methyl ketone · 3-Methoxyphenylacetone-97% · 1-(3-METHOXYPHENYL)ACETONE · 3-methoxyphenylpropan-2-one · 3-METHOXYBENZYL METHYL KETONE
Identifikatoren & physikalische Daten
| CAS No. | 3027-13-2 |
|---|---|
| Summenformel | C10H12O2 |
| Durchschnittliche Molmasse | 164,2 g/mol |
| Monoisotopische Masse | 164,08372962 g/mol |
| SMILES | COc1cccc(CC(C)=O)c1 |
| InChIKey | RMMRRRLPDBJBQL-UHFFFAOYSA-N |
| PubChem CID | 76410 |
| EC No. | 221-191-9 |
| DTXSID | DTXSID00184359 |
| Lokaler Name | 1-(3-Methoxyphenyl)aceton |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 154 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 258 °C |
| Siedepunkt | 258-260 °C (lit.) |
| Dichte | 1.911 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.5252(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Miscible with dimethyl sulfoxide. |
| Aggregatzustand | Oil |
| Farbe | Pale Yellow |
| BRN | 2044357 |
| InChI | InChI=1S/C10H12O2/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7H,6H2,1-2H3 |
| InChIKey | RMMRRRLPDBJBQL-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC(OC)=C1)C(=O)C |
| LogP (Verteilungskoeffizient) | 1.350 (est) |
| CAS Datenbank | 3027-13-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Methoxyphenylacetone is a substituted phenylacetone used in the preparation of optically active cyanohydrins. 3-Methoxyphenylacetone is also used in the preparation of CNS active compounds.