23676-08-6

• 常用中文名：4-乙氧基苯甲酸甲酯
• 常用英文名：Methyl 4-ethoxybenzoate
• CAS号：23676-08-6
• 分子式：C₁₀H₁₂O₃
• 分子量：180.201
• 发布时间：2018-08-06 19:23:24
• 更新时间：2024-01-02 08:11:49
• Methyl 4-ethoxybenzoate is a biochemical.

名称

• 中文名: 对乙氧基苯甲酸甲酯
• 英文名: Methyl 4-ethoxybenzoate
• 中文别名: 4-乙氧基苯甲酸甲酯
• 英文别名: MFCD00017264; Methyl 4-ethoxybenzoate; EINECS 245-817-5; 4-Ethoxybenzoic acid methyl ester; Benzoic acid, 4-ethoxy-, methyl ester; 4-Aethoxy-benzoesaeure-methylester; 4-Ethoxybenzoesaeure-methylester; p-Aethoxy-benzoesaeure-methylester; Methyl4-ethoxybenzoate; Methyl p-ethoxybenzoate; METHYL-p-ETHOXY BENZOATE; 4-methoxybenzoic acid ethyl ester; Benzoic acid,4-ethoxy-,methyl ester

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 266.6±13.0 °C at 760 mmHg
• 熔点: 36-38°C
• 分子式: C₁₀H₁₂O₃
• 分子量: 180.201
• 闪点: 106.1±14.4 °C
• 精确质量: 180.078644
• PSA: 35.53000
• LogP: 2.80
• 外观性状: 白色结晶粉末
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.500
• 储存条件:

  保持贮藏器密封

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性:

  如果遵照规格使用和储存则不会分解

  避免接触氧化物
• 分子结构:

  1、 摩尔折射率：49.33

  2、 摩尔体积（m³/mol）：167.8

  3、 等张比容（90.2K）：408.5

  4、 表面张力（dyne/cm）：35.1

  5、 极化率（10 ^-24cm ³）：19.55

• 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:3

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积35.5

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:160

  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：固体

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：35-37

  5. 沸点（ºC,20mmhg）：160

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：>110

  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（kPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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: Methyl 4-ethoxybenzoate 97% Material Safety Data Sheet Synonym: None listed CAS: 23676-08-6 Section 1 - Chemical Product MSDS Name:Methyl 4-ethoxybenzoate 97% Material Safety Data Sheet Synonym:None listed Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 23676-08-6 Methyl 4-ethoxybenzoate 97 245-817-5 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: 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. 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: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. 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# 23676-08-6: 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: Crystals Color: white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C10H12O3 Molecular Weight: 180.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 23676-08-6 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 4-ethoxybenzoate - 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. S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 23676-08-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 23676-08-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 23676-08-6 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

毒理学数据: 在眼睛上面： 可能引发炎症。 在皮肤上面： 可能引发炎症。 生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境

安全

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

合成路线

74-96-4 99-76-3 ~% 23676-08-6

文献：Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, , vol. 268, p. 21 - 44

67-56-1 619-86-3 ~86% 23676-08-6

文献：Tavares; Penna; Amaral Bollettino Chimico Farmaceutico, 1997 , vol. 136, # 3 p. 244 - 249

619-86-3 ~% 23676-08-6

文献：Journal of the American Chemical Society, , vol. 74, p. 3960

6018-41-3 927-80-0 ~8% 23676-08-6

文献：Ziegler, Thomas; Layh, Marcus; Effenberger, Franz Chemische Berichte, 1987 , vol. 120, p. 1347 - 1356

186581-53-3 619-86-3 ~% 23676-08-6

文献：Magnetic Resonance in Chemistry, , vol. 27, # 6 p. 585 - 591

98546-40-8 922-67-8 ~% 23676-08-6 108593-47-1

文献：Chemische Berichte, , vol. 120, p. 1339 - 1346

上下游产品

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74-96-4 99-76-3 67-56-1 619-86-3
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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%