7507-68-8
7507-68-8结构式
- 常用中文名：ethyl (1R)-1,3,3-trimethyl-2-oxo-cyclohexane-1-carboxylate
- 常用英文名：ethyl (1R)-1,3,3-trimethyl-2-oxo-cyclohexane-1-carboxylate
- CAS号：7507-68-8
- 分子式：C12H20O3
- 分子量：212.28500
- 发布时间：2017-09-28 08:48:07
- 更新时间：2024-01-17 17:15:28
| 英文名 | ethyl 1,3,3-trimethyl-2-oxocyclohexane-1-carboxylate |
|---|---|
| 英文别名 |
1,3,3-trimethyl-2-oxo-cyclohexanecarboxylic acid ethyl ester
ethyl 1,3,3-trimethyl-2-oxocyclohexanecarboxylate 6-carboethoxy-2,2,6-trimethylcyclohexanone 6-CARBETHOXY-2,2,6-TRIMETHYLCYCLOHEXANONE MFCD00143496 1,3,3-Trimethyl-2-oxo-cyclohexancarbonsaeure-aethylester 2-ethoxycarbonyl-2,6,6-trimethylcyclohexanone 1,3,3-Trimethyl-2-oxocyclohexan-1-carbonsaeure-methylester |
| 密度 | 0.992g/cm3 |
|---|---|
| 沸点 | 55-56ºC (3 mmHg) |
| 分子式 | C12H20O3 |
| 分子量 | 212.28500 |
| 闪点 | 111.7ºC |
| 精确质量 | 212.14100 |
| PSA | 43.37000 |
| LogP | 2.33500 |
| 折射率 | 1.454-1.456 |
| 储存条件 | 密封储存，储存于阴凉、干燥的库房。 |
| 稳定性 | 常温常压下稳定，避免与强氧化剂接触。 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.7 2.氢键供体数量:0 3.氢键受体数量:3 4.可旋转化学键数量:3 5.互变异构体数量:无 6.拓扑分子极性表面积43.4 7.重原子数量:15 8.表面电荷:0 9.复杂度:281 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:1 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 更多 | 1. 性状：无色透明液体 2. 密度（g/mL,20℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：0 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC，3mmHg）：55-56 7. 折射率(n20/D)：1.454-1.456 8. 闪点（ºC）：未确定 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（mmHg,217ºC）：未确定 12. 饱和蒸气压（kPa,25ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：未确定 |
Synonym:Ethyl-1,3,3-trimethyl-2-oxo-cyclohexanecarboxylat Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 7507-68-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Clear liquid Color: clear, colorless Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 55.0 - 56.0 deg C @ 3.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Not available. Specific Gravity/Density: Not available. Molecular Formula: C12H20O3 Molecular Weight: 212.29 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 7507-68-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 6-Carbethoxy-2,2,6-trimethylcyclohexanone - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 7507-68-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 7507-68-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 7507-68-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 安全声明 (欧洲) | 24/25 |
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| 文献：Venkatesha, Manjunatha A.; Suresh, Hariprasad Journal of the Serbian Chemical Society, 2013 , vol. 78, # 6 p. 759-768+S57-S61 |
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| 文献：Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , p. 1943 - 1945 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , p. 2013 - 2014 |
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| 文献：Bulletin de la Societe Chimique de France, , p. 1499 |
