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Ethyl-4-hydroxyphenylacetat
EPAN-003 · AKOS 90925 · ETHYL 4-HYDROXYPHENYLACETATE · 2-(4-hydroxyphenyl)butanoate · Ethyl (p-Hydroxyphenyl)acetate · Ethyl4-Hydroxyphenylacetate>ETHYL-4-HYDROXYPHENYLACETIC ACID · Ethyl 2-(p-Hydroxyphenyl)acetate · ETHYL 2-(4-HYDROXYPHENYL)ACETATE
Identifikatoren & physikalische Daten
| CAS No. | 17138-28-2 |
|---|---|
| Summenformel | C10H12O3 |
| Durchschnittliche Molmasse | 180,2 g/mol |
| Monoisotopische Masse | 180,07864424 g/mol |
| SMILES | CCOC(=O)Cc1ccc(O)cc1 |
| InChIKey | HYUPPKVFCGIMDB-UHFFFAOYSA-N |
| PubChem CID | 28310 |
| EC No. | 241-197-5 |
| DTXSID | DTXSID0066165 |
| Lokaler Name | Ethyl-4-hydroxyphenylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 160 |
| Schmelzpunkt | 36-38°C |
| Siedepunkt | 187-189°C 20mm |
| Dichte | 1.146±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.52 |
| Flammpunkt | 187-189°C/20mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform |
| Aggregatzustand | Brown Semi-Solid |
| pKa (Säurekonstante) | 9.84±0.15(Predicted) |
| Farbe | White or Colorless to Light yellow |
| LogP (Verteilungskoeffizient) | 1.760 (est) |
| CAS Datenbank | 17138-28-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzeneacetic acid, 4-hydroxy-, ethyl ester(17138-28-2) |
| EPA chemische Informationen | Benzeneacetic acid, 4-hydroxy-, ethyl ester (17138-28-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH315 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (75%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2916340000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Ethyl 4-hydroxyphenylacetate is a useful synthetic intermediate for the preparation of novel antiinflammatory agents.