16728-01-1

• 常用中文名：1-(4-甲氧基)-1-环丙烷羧酸
• 常用英文名：1-(4-Methoxyphenyl)cyclopropanecarboxylic acid
• CAS号：16728-01-1
• 分子式：C₁₁H₁₂O₃
• 分子量：192.211
• 发布时间：2018-12-23 19:05:20
• 更新时间：2024-01-10 18:53:32

名称

• 中文名: 1-(4-甲氧基苯)-1-环丙羧酸
• 英文名: 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid
• 中文别名: 1-(4-甲氧基苯基)-1-环丙烷羧酸
• 英文别名: 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid; 1-(4-methoxyphenyl)cyclopropane-1-carboxylic acid; EINECS 240-788-5; MFCD00019223; Cyclopropanecarboxylic acid, 1-(4-methoxyphenyl)-; 1-(4-Methoxyphenyl)-1-cyclopropanecarboxylic acid; Cyclopropanecarboxylicacid, 1-(4-methoxyphenyl)-

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 347.7±35.0 °C at 760 mmHg
• 熔点: 127-132 °C
• 分子式: C₁₁H₁₂O₃
• 分子量: 192.211
• 闪点: 138.6±19.4 °C
• 精确质量: 192.078644
• PSA: 46.53000
• LogP: 1.46
• 外观性状: 白色至近乎于白色结晶粉末
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.585
• 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：50.97

  2、 摩尔体积（m³/mol）：152.1

  3、 等张比容（90.2K）：411.4

  4、 表面张力（3.0 dyne/cm）：53.5

  5、 极化率（0.5 10 ^-24cm ³）：20.20

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.7

  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、 拓扑分子极性表面积（TPSA）：46.5

  6、 重原子数量：14

  7、 表面电荷：0

  8、 复杂度：225

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  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）：127-132

  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: 1-(4-Methoxyphenyl)-1-cyclopropanecarboxylic acid 97% Material Safety Data Sheet Synonym: 1-(4-Methoxyphenyl)cyclopropane-1-carboxylic aci CAS: 16728-01-1 Section 1 - Chemical Product MSDS Name:1-(4-Methoxyphenyl)-1-cyclopropanecarboxylic acid 97% Material Safety Data Sheet Synonym:1-(4-Methoxyphenyl)cyclopropane-1-carboxylic aci Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 16728-01-1 1-(4-Methoxyphenyl)-1-cyclopropanecarb 97 240-788-5 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. 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: 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. 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: Sweep up, then place into a suitable container for disposal. 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 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# 16728-01-1: 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: Solid Color: white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 124.00 - 126.00 deg C 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: C11H12O3 Molecular Weight: 192.21 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: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 16728-01-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(4-Methoxyphenyl)-1-cyclopropanecarboxylic 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# 16728-01-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 16728-01-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 16728-01-1 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

• 安全声明 (欧洲): S24/25
• 海关编码: 2918990090

合成路线

16728-00-0 ~77% 16728-01-1

文献：Mndzhoyan, Sh. L.; Tsinker, M. G.; Ovakimyan, A. R.; Ter-Zakharyan, Yu. Z.; Kazaryan, E. V.; Paronikyan, R. V. Pharmaceutical Chemistry Journal, 1980 , vol. 14, # 2 p. 114 - 118 Khimiko-Farmatsevticheskii Zhurnal, 1980 , vol. 14, # 2 p. 40 - 45

104173-40-2 ~62% 16728-01-1

文献：Kirmse, Wolfgang; Rode, Jutta Chemische Berichte, 1986 , vol. 119, # 12 p. 3694 - 3703

39729-00-5 ~% 16728-01-1

文献：Chemische Berichte, , vol. 119, # 12 p. 3694 - 3703

104173-38-8 ~% 16728-01-1

文献：Chemische Berichte, , vol. 119, # 12 p. 3694 - 3703

104-47-2 ~% 16728-01-1

文献：Pharmaceutical Chemistry Journal, , vol. 14, # 2 p. 114 - 118 Khimiko-Farmatsevticheskii Zhurnal, , vol. 14, # 2 p. 40 - 45

上下游产品

上游产品  3
16728-00-0 104173-40-2 104-47-2
下游产品  5
108098-18-6 16728-02-2 16728-03-3 869970-25-2
936727-44-5

海关

海关编码	2918990090
中文概述	2918990090. 其他含其他附加含氧基羧酸（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:13.0%. 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	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%