18066-68-7

• 常用中文名：2-(3,4-二甲氧基苯基)乙酸乙酯
• 常用英文名：Ethyl 2-(3,4-dimethoxyphenyl)acetate
• CAS号：18066-68-7
• 分子式：C₁₂H₁₆O₄
• 分子量：224.253
• 发布时间：2018-02-08 08:00:00
• 更新时间：2024-01-04 12:15:52

名称

• 中文名: 3,4-二甲氧基苯基乙酸乙酯
• 英文名: ethyl 2-(3,4-dimethoxyphenyl)acetate
• 中文别名: 3,4-二甲氧基苯乙酸乙酯; 2-(3,4-二甲氧基苯基)乙酸乙酯
• 英文别名: Homoveratric acid,ethyl ester; Ethyl 3,4-dimethoxyphenyl acetate; Ethyl dimethoxyphenylacetate; EINECS 241-974-9; Ethyl (3,4-dimethoxyphenyl)acetate; MFCD00017272; Benzeneacetic acid, 3,4-dimethoxy-, ethyl ester; Acetic acid, (3,4-dimethoxyphenyl)-, ethyl ester; Homoveratrumsaeureaethylester; Ethyl 3,4-dimethoxyphenylacetate; (3,4-dimethoxyphenyl)acetic acid ethyl ester; Benzeneacetic acid,3,4-dimethoxy-,ethyl ester; (3,4-Dimethoxy-phenyl)-essigsaeure-aethylester; Ethyl homoveratrate

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 302.0±27.0 °C at 760 mmHg
• 分子式: C₁₂H₁₆O₄
• 分子量: 224.253
• 闪点: 129.3±23.8 °C
• 精确质量: 224.104858
• PSA: 44.76000
• LogP: 2.23
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.494
• 储存条件:

  常温密闭避光，通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料：氧化物
• 分子结构:

  1、 摩尔折射率：60.19

  2、 摩尔体积（m³/mol）：206.7

  3、 等张比容（90.2K）：501.9

  4、 表面张力（dyne/cm）：34.6

  5、 极化率（10^-24cm³）：23.86

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积44.8

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:217

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  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：不确定

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：不确定

  5. 沸点（ºC,常压）：191

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：1.5180

  8. 闪点（ºC,4mmHg）：159-160

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: Ethyl 2-(3 4-dimethoxyphenyl)acetate 97% Material Safety Data Sheet Synonym: Homoveratric acid, ethyl este CAS: 18066-68-7 Section 1 - Chemical Product MSDS Name:Ethyl 2-(3 4-dimethoxyphenyl)acetate 97% Material Safety Data Sheet Synonym:Homoveratric acid, ethyl este Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 18066-68-7 Ethyl 2-(3,4-dimethoxyphenyl)acetate 97% 241-974-9 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 18066-68-7: 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: Liquid Color: dark Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 191 deg C @25mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C12H16O4 Molecular Weight: 224 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, bases. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 18066-68-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 2-(3,4-dimethoxyphenyl)acetate - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 18066-68-7: No information available. Canada CAS# 18066-68-7 is listed on Canada's NDSL List. CAS# 18066-68-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 18066-68-7 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xn,Xi
• 风险声明 (欧洲): R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin .
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: 2811
• WGK德国: 3
• RTECS号: TY1225000
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 29211980

合成路线

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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%