29582-31-8

• 常用中文名：反-(4-乙氧基苯甲-3-丙烯酸
• 常用英文名：3-(4-ETHOXYBENZOYL)ACRYLIC ACID
• CAS号：29582-31-8
• 分子式：C₁₂H₁₂O₄
• 分子量：220.22100
• 相关类别： 香精与香料 合成香料 芳香肉桂酸、酯及衍生物
• 发布时间：2018-12-28 09:26:22
• 更新时间：2024-02-04 10:57:12

名称

• 中文名: 反-(4-乙氧基苯甲-3-丙烯酸
• 英文名: (4-ethoxybenzoyl)-3-acrylic acid
• 中文别名: (4-乙氧基苯甲酰基)-3-丙烯酸; 3-(4-乙氧基苯甲酰)丙烯酸
• 英文别名: MFCD00075337; trans-(4-Ethoxybenzoyl)-3-acrylic acid

物化性质

• 密度: 1.205g/cm3
• 沸点: 398.2ºC at 760mmHg
• 熔点: 140-144ºC
• 分子式: C₁₂H₁₂O₄
• 分子量: 220.22100
• 闪点: 155.2ºC
• 精确质量: 220.07400
• PSA: 63.60000
• LogP: 1.90880
• 外观性状: 黄色结晶粉末
• 蒸汽压: 4.68E-07mmHg at 25°C
• 储存条件:

  密闭于0-6 ºC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：58.48

  2、 摩尔体积（m³/mol）：182.7

  3、 等张比容（90.2K）：477.4

  4、 表面张力（dyne/cm）：46.6

  5、 极化率（10^-24cm³）：23.18

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：2.4

  2、 氢键供体数量：0

  3、 氢键受体数量：4

  4、 可旋转化学键数量：4

  5、 拓扑分子极性表面积（TPSA）：66.4

  6、 重原子数量：16

  7、 表面电荷：-1

  8、 复杂度：269

  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：1

  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）：140-144

  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: trans-(4-Ethoxybenzoyl)-3-acrylic acid 98% Material Safety Data Sheet Synonym: CAS: 29582-31-8 Section 1 - Chemical Product MSDS Name:trans-(4-Ethoxybenzoyl)-3-acrylic acid 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 29582-31-8 trans-(4-Ethoxybenzoyl)-3-acrylic acid 98% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. 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: 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# 29582-31-8: 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: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 140 - 144 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: Insoluble. Specific Gravity/Density: Molecular Formula: C12H12O4 Molecular Weight: 220.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. 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# 29582-31-8 unlisted. LD50/LC50: Not available. Carcinogenicity: trans-(4-Ethoxybenzoyl)-3-acrylic 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 29582-31-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 29582-31-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 29582-31-8 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

• 危害码 (欧洲): Xn,Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S37-S39
• 海关编码: 2918990090

合成路线

108-31-6 103-73-1 ~% 29582-31-8

文献：Journal of the American Chemical Society, , vol. 46, p. 2323

36680-28-1 103-73-1 ~% 29582-31-8

文献：Journal of the American Chemical Society, , vol. 70, p. 3356,3357

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%