107147-13-7

• 常用中文名：顺-2-(4-甲基苯甲酰)-1-环己烷羧酸
• 常用英文名：2-(4-Methylbenzoyl)cyclohexanecarboxylic acid
• CAS号：107147-13-7
• 分子式：C₁₅H₁₈O₃
• 分子量：246.30200
• 发布时间：2018-10-05 15:56:39
• 更新时间：2024-01-22 17:19:06

名称

• 中文名: 顺-2-(4-甲基苯甲酰)-1-环己烷羧酸
• 英文名: 2-(4-Methylbenzoyl)cyclohexanecarboxylic acid
• 英文别名: CIS-2-(4-METHYLBENZOYL)-1-CYCLOHEXANECARBOXYLIC ACID,99; cyclohexanecarboxylic acid,2-(4-methylbenzoyl); cis-2-(4-Methylbenzoyl)-1-cyclohexanecarboxylic acid; MFCD00800521

物化性质

• 密度: 1.161g/cm3
• 沸点: 425.2ºC at 760mmHg
• 熔点: 135ºC
• 分子式: C₁₅H₁₈O₃
• 分子量: 246.30200
• 闪点: 225.1ºC
• 精确质量: 246.12600
• PSA: 54.37000
• LogP: 3.06870
• 蒸汽压: 5.47E-08mmHg at 25°C
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：68.24

  2、 摩尔体积（m³/mol）：211.9

  3、 等张比容（90.2K）：556.2

  4、 表面张力（dyne/cm）：47.3

  5、 极化率（10^-24cm³）：27.05

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：3.7

  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：2

  5、 拓扑分子极性表面积（TPSA）：57.2

  6、 重原子数量：18

  7、 表面电荷：-1

  8、 复杂度：310

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：2

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：135

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: cis-2-(4-Methylbenzoyl)-1-cyclohexanecarboxylic acid 99% Material Safety Data Sheet Synonym: Cyclohexanecarboxylic acid, 2-(4-methylbenzoyl)-, cis- CAS: 107147-13-7 Section 1 - Chemical Product MSDS Name:cis-2-(4-Methylbenzoyl)-1-cyclohexanecarboxylic acid 99% Material Safety Data Sheet Synonym:Cyclohexanecarboxylic acid, 2-(4-methylbenzoyl)-, cis- Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 107147-13-7 cis-2-(4-Methylbenzoyl)-1-cyclohexanec 99 unlisted Hazard Symbols: None Listed. 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. The toxicological properties of this material have not been fully investigated. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: Dust is irritating to the respiratory tract. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. 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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion. 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. Avoid generating dusty conditions. 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. Avoid breathing dust. Storage: 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# 107147-13-7: 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: 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: 135 - 138 deg C Autoignition Temperature: Not available. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: soluble in ethanol Specific Gravity/Density: Molecular Formula: C15H18O3 Molecular Weight: 246.31 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stability unknown. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 107147-13-7 unlisted. LD50/LC50: Not available. Carcinogenicity: cis-2-(4-Methylbenzoyl)-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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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# 107147-13-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 107147-13-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 107147-13-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 海关编码: 2918300090

海关

海关编码	2918300090
中文概述	2918300090 其他含醛基或酮基不含其他含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%