6939-99-7

• 常用中文名：顺-2-苄基-1-环已羧酸
• 常用英文名：(1S,2S)-2-benzoylcyclohexane-1-carboxylate
• CAS号：6939-99-7
• 分子式：C₁₄H₁₆O₃
• 分子量：232.27500
• 发布时间：2018-09-08 13:20:08
• 更新时间：2024-01-27 23:52:44

名称

• 中文名: 顺-2-苄基-1-环已羧酸
• 英文名: (1S,2R)-2-benzoylcyclohexane-1-carboxylic acid
• 英文别名: 2-benzoylcyclohexanecarboxylic acid; (1R*,2S*)-2-benzoylcyclohexanecarboxylic acid; MFCD00800519; CIS-2-BENZOYL-1-CYCLOHEXANECARBOXYLIC ACID,98; cyclohexanecarboxylic acid,2-benzoyl; trans-2-benzoyl-1-cyclohexanecarboxylic acid

物化性质

• 密度: 1.186g/cm3
• 沸点: 406.4ºC at 760 mmHg
• 熔点: 138-142ºC
• 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）：2.7

  2、 氢键供体数量：1

  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：2

  6、 拓扑分子极性表面积（TPSA）：54.4

  7、 重原子数量：17

  8、 表面电荷：0

  9、 复杂度：292

  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）：138-142

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，27mmHg）：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（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

MSDS

Name: cis-2-Benzoyl-1-cyclohexanecarboxylic acid 98% Material Safety Data Sheet Synonym: CAS: 6939-99-7 Section 1 - Chemical Product MSDS Name:cis-2-Benzoyl-1-cyclohexanecarboxylic acid 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 6939-99-7 cis-2-Benzoyl-1-cyclohexanecarboxylic 98% 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: 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# 6939-99-7: 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: 138 - 142 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# 6939-99-7 unlisted. LD50/LC50: Not available. Carcinogenicity: cis-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# 6939-99-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6939-99-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6939-99-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

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%