Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,2-디메틸옥탄산
2,2-디메틸옥탄산 · Octanoic acid, 2,2-dimethyl- · Butyl Parahydroxybenzoate Impurity 1 (Butyl Parahydroxybenzoate EP Impurity A)
식별자 및 물리적 특성
| CAS No. | 29662-90-6 |
|---|---|
| 분자식 | C10H20O2 |
| 평균 분자량 | 172.26 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 2,2-디메틸옥탄산 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 139 |
| Physical Description | 2,2-dimethyl octanoic acid is a colorless liquid with a burning, rancid odor. Floats on water. (USCG, 1999) |
| 끓는 점 | 262.98°C (estimate) |
| 밀도 | 0.9047 (rough estimate) |
| 굴절률 | 1.4175 (estimate) |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 기름 |
| pKa(산도 계수) | 4.86±0.45(Predicted) |
| 색상 | 무색 |
| EPA | Octanoic acid, 2,2-dimethyl- (29662-90-6) |
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | Octanoic acid, 2,2-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 건강 유해성 | 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) |
| 반응성 그룹 | 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%) |
| 소화 | Fire Extinguishing Agents: CO2, dry chemical, foam, or water spray. (USCG, 1999) |
| 응급 처치 | 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) |
| 비화재 누출 대응 | 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) |
| 신호 어 | Warning |
| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302 |
용도
용도
2,2-Dimethyloctanoic Acid is used in biological studies as benzyl dimethyloctanoate metabolite of sewage bacteria.
일반 설명
Colorless liquid with a burning, rancid odor. Floats on water.