HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-(4-Hydroxyphenyl)hexanoic acid
NSC 61820 · 4-Hydroxy-benzenehexanoic Acid · 6-(4-Hydroxyphenyl)hexanoic acid · Benzenehexanoic acid, 4-hydroxy-
Identifikatoren & physikalische Daten
| CAS No. | 6952-35-8 |
|---|---|
| Summenformel | C12H16O3 |
| Durchschnittliche Molmasse | 208,25 g/mol |
| Monoisotopische Masse | 208,10994437 g/mol |
| SMILES | O=C(O)CCCCCc1ccc(O)cc1 |
| InChIKey | DQTMUMLMQOJHCI-UHFFFAOYSA-N |
| PubChem CID | 247362 |
| EC No. | 836-924-3 |
| DTXSID | DTXSID20289532 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 183 |
| Schmelzpunkt | 99-102°C |
| Siedepunkt | 409.4±28.0 °C(Predicted) |
| Dichte | 1.148±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| pKa (Säurekonstante) | 4.77±0.10(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
6-(4-Hydroxyphenyl)hexanoic Acid (cas# 6952-35-8) is a compound useful in organic synthesis.