HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(4-Ethylphenyl)acetic acid
4-Ethylbenzeneacetic acid · (4-ethylphenyl)acetic acid · benzeneacetic acid, 4-ethyl- · 2-(4-ethylphenyl)acetic acid · 2-(4-ethylphenyl)ethanoic acid · (4-ethylphenyl)acetic acid(SALTDATA: FREE)
Identifikatoren & physikalische Daten
| CAS No. | 14387-10-1 |
|---|---|
| Summenformel | C10H12O2 |
| Durchschnittliche Molmasse | 164,2 g/mol |
| Monoisotopische Masse | 164,08372962 g/mol |
| SMILES | CCc1ccc(CC(=O)O)cc1 |
| InChIKey | QMBLXRHXCGJOGU-UHFFFAOYSA-N |
| PubChem CID | 84403 |
| EC No. | 802-180-3 |
| DTXSID | DTXSID30162564 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 146 |
| LogP (Verteilungskoeffizient) | 2.43 |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | pK1:4.373 (25°C) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 (100%) |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
(4-Ethylphenyl)acetic acid is a reagent used in the synthesis of p-Ethylhydratropic Acid (E918820), which is an impurity of ibuprofen (I140000).