HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
8-Phenyloctanoic acid
8-phenyloctanoate · RARECHEM AH CK 0157 · 8-PHENYLOCTANOIC ACID · 8-Phenyloctanoicacid,97% · 8-Phenyloctanoic acid 95%+ · OMEGA-PHENYL OCTANOIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 26547-51-3 |
|---|---|
| Summenformel | C14H20O2 |
| Durchschnittliche Molmasse | 220,31 g/mol |
| Monoisotopische Masse | 220,14632988 g/mol |
| SMILES | O=C(O)CCCCCCCc1ccccc1 |
| InChIKey | VZECIAZMSHBQOC-UHFFFAOYSA-N |
| PubChem CID | 520273 |
| EC No. | 670-943-6 |
| DTXSID | DTXSID30334300 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 183 |
| Schmelzpunkt | 27 °C |
| Siedepunkt | 150 °C |
| Dichte | 1.020±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.5020 |
| Flammpunkt | 150-152°C/0.1mm |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
| Löslichkeit | Insoluble in water. |
| BRN | 2050336 |
| CAS Datenbank | 26547-51-3(CAS DataBase Reference) |
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 (16.7%): 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)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%) |
| Zollcode | 2916399090 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
Anwendungen & Verwendung
Verwenden
8-Phenyloctanoic acid is an n- phenylalkanoic acids which is an intermediate that support bacterial growth. Pseudomonas p utida disrupted in the gene that encodes the 3-ketoacyl-CoA thiolase (fadA), was cultured in a chemically defined medium containing 8-Phenyloctanoic acid as aromatic fatty acids.