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Methyl-4-methoxyphenylacetat
Methyl 2-(4-Methoxyphenyl)acetate · AURORA KA-6001 · ASISCHEM D13374 · Methyl 4-anisoleacetate · Methyl 2-(4-methoxyphenyl) · METHYL P-METHOXYPHENYLACETATE · Methyl 4-methoxyphenylacetate · Methyl 4-methoxybenzeneacetate
Identifikatoren & physikalische Daten
| CAS No. | 23786-14-3 |
|---|---|
| Summenformel | C10H12O3 |
| Durchschnittliche Molmasse | 180,2 g/mol |
| Monoisotopische Masse | 180,07864424 g/mol |
| SMILES | COC(=O)Cc1ccc(OC)cc1 |
| InChIKey | ZQYLDVNTWDEAJI-UHFFFAOYSA-N |
| PubChem CID | 90266 |
| ChEMBL | CHEMBL445203 |
| EC No. | 245-886-1 |
| DTXSID | DTXSID80178473 |
| Lokaler Name | Methyl-4-methoxyphenylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 160 |
| Siedepunkt | 158 °C/19 mmHg (lit.) |
| Dichte | 1.135 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.516(lit.) |
| Flammpunkt | 98 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | liquid |
| Farbe | yellow-green |
| BRN | 2209665 |
| InChI | 1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3 |
| InChIKey | ZQYLDVNTWDEAJI-UHFFFAOYSA-N |
| SMILES | COC(=O)Cc1ccc(OC)cc1 |
| LogP (Verteilungskoeffizient) | 1.880 (est) |
| CAS Datenbank | 23786-14-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (97.6%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29189900 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16-24/25 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Methyl 4-methoxyphenylacetate was used in the synthesis of 7,8-dihydroxy-2-(4′-hydroxybenzyl)-4H-1-benzopyran-4-one.