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2,2-Dimethyloctanoic acid
Octanoic acid, 2,2-dimethyl- · Butyl Parahydroxybenzoate Impurity 1 (Butyl Parahydroxybenzoate EP Impurity A)
Identifikatoren & physikalische Daten
| CAS No. | 29662-90-6 |
|---|---|
| Summenformel | C10H20O2 |
| Durchschnittliche Molmasse | 172,26 g/mol |
| Monoisotopische Masse | 172,14632988 g/mol |
| SMILES | CCCCCCC(C)(C)C(=O)O |
| InChIKey | IKNDGHRNXGEHTO-UHFFFAOYSA-N |
| PubChem CID | 62847 |
| EC No. | 980-158-3 |
| DTXSID | DTXSID0058356 |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 139 |
| Physical Description | 2,2-dimethyl octanoic acid is a colorless liquid with a burning, rancid odor. Floats on water. (USCG, 1999) |
| Siedepunkt | 262.98°C (estimate) |
| Dichte | 0.9047 (rough estimate) |
| Brechungsindex | 1.4175 (estimate) |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 4.86±0.45(Predicted) |
| Farbe | Colourless |
| EPA chemische Informationen | Octanoic acid, 2,2-dimethyl- (29662-90-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 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. |
|---|---|
| Regulatorische Informationen | Octanoic acid, 2,2-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gesundheitsgefahren | Irritating to the eyes, nose, throat, upper respiratory tract, and skin. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. (USCG, 1999) |
| Reaktive Gruppe | Acids, Carboxylic |
| Reactivity Profile | 2,2-DIMETHYL OCTANOIC ACID reacts exothermically with bases. May corrode or dissolve iron, steel, and aluminum parts and containers. May react with active metals to form gaseous hydrogen and a metal salt. Reacts with cyanide salts to generate gaseous hydrogen cyanide. Reacts with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides to generate flammable and/or toxic gases and heat. Reacts with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Reacts with carbonates and bicarbonates to generate a harmless gas (carbon dioxide) but some heat. Exothermically oxidized by strong oxidizing agents and reduced by strong reducing agents to give a range of products. May initiate polymerization reactions or catalyze other chemical reactions. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%) |
| Brandbekämpfung | Fire Extinguishing Agents: CO2, dry chemical, foam, or water spray. (USCG, 1999) |
| Erste Hilfe | INHALATION: Remove victim to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen.EYES: Hold eyelids open, flush with running water for at least 15 minutes.SKIN: Remove contaminated clothing and shoes, flush affected areas with plenty of water.INGESTION: Do nothing except keep victim warm. DO NOT INDUCE VOMITING. Call a physician. (USCG, 1999) |
| Freisetung ohne Brand | Neutralizing Agents for Acids and Caustics: Caustic soda, soda ash, lime (USCG, 1999) |
| Personal Protective Equipment (PPE) | Approved respirator, chemical resistant gloves, chemical safety gloves, other protective clothing. (USCG, 1999) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
2,2-Dimethyloctanoic Acid is used in biological studies as benzyl dimethyloctanoate metabolite of sewage bacteria.