| 中文名 | 反-2-苯甲酰基-1-环己烷羧酸 |
|---|---|
| 英文名 | trans-2-Benzoylcyclohexane-1-carboxylic acid |
| 英文别名 |
(1R*,2S*)-2-benzoylcyclohexanecarboxylic acid
TRANS-2-BENZOYL-1-CYCLOHEXANECARBOXYLIC ACID,99 2-benzoyl-cyclohexanecarboxylic acid MFCD00800520 trans-2-benzoyl-1-cyclohexanecarboxylic acid |
| 密度 | 1.186g/cm3 |
|---|---|
| 沸点 | 406.4ºC at 760 mmHg |
| 熔点 | 150-153ºC |
| 分子式 | C14H16O3 |
| 分子量 | 232.27500 |
| 闪点 | 213.8ºC |
| 精确质量 | 232.11000 |
| PSA | 54.37000 |
| LogP | 2.76030 |
| 折射率 | 1.561 |
| 计算化学 | 1、 疏水参数计算参考值（XlogP）：3.3 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：2 5、 互变异构体数量：2 6、 拓扑分子极性表面积（TPSA）：57.2 7、 重原子数量：17 8、 表面电荷：-1 9、 复杂度：286 10、 同位素原子数量：0 11、 确定原子立构中心数量：2 12、 不确定原子立构中心数量：0 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：未确定 2. 密度（g/mL,25℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：150-153 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,12mmHg）：未确定 7. 折射率(n20/D)：未确定 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（mPa,20ºC）：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: 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: Non-irritating to the eyes. Skin: Non-irritating to the skin. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: The toxicological properties of this substance have not been fully investigated. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: 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. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 3586-84-3: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 150 - 153 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: soluble in ethanol Specific Gravity/Density: Molecular Formula: C14H16O3 Molecular Weight: 232.28 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3586-84-3 unlisted. LD50/LC50: Not available. Carcinogenicity: trans-2-Benzoyl-1-cyclohexanecarboxylic acid - 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# 3586-84-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3586-84-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3586-84-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |