22446-37-3

• 常用中文名：2-羟基苯乙酸甲酯
• 常用英文名：Methyl (2-hydroxyphenyl)acetate
• CAS号：22446-37-3
• 分子式：C₉H₁₀O₃
• 分子量：166.174
• 相关类别： 化学农药原药 杀菌剂 唑类杀菌剂
• 发布时间：2018-05-16 08:00:00
• 更新时间：2024-01-09 15:49:08

• 2-羟基苯乙酸甲酯是杀菌剂嘧菌酯的中间体。

名称

• 中文名: 2-羟基苯乙酸甲酯
• 英文名: methyl 2-(2-hydroxyphenyl)acetate
• 中文别名: 苯乙酸,2-羟基-,甲酯
• 英文别名: Benzeneacetic acid, 2-hydroxy-, methyl ester; methyl ortho-hydroxyphenylacetate; 2-Hydroxy-benzeneacetic acid methyl ester; methyl 2-hydroxyl phenylacetic acid; (2-Hydroxy-Phenyl)-Acetic Acid Methyl Ester; QR B1OV1; Benzeneacetic acid,2-hydroxy-,methyl ester; (2-Hydroxyphenyl)acetic acid methyl ester; Methyl (2-hydroxyphenyl)acetate; EINECS 245-004-5

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 261.9±15.0 °C at 760 mmHg
• 熔点: 122-124℃
• 分子式: C₉H₁₀O₃
• 分子量: 166.174
• 闪点: 110.0±13.2 °C
• 精确质量: 166.062988
• PSA: 46.53000
• LogP: 1.23
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.539
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：44.09

  2、 摩尔体积（cm³/mol）：140.6

  3、 等张比容（90.2K）：363.3

  4、 表面张力（dyne/cm）：44.5

  5、 极化率（10-24cm3）：17.47

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:3

  6.拓扑分子极性表面积46.5

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:156

  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：白色粉状结晶

  2.熔点（ºC）：70～72

  3.溶解性：难溶于水，溶于苯、甲苯、丙酮。

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: (2-Hydroxy-phenyl)-acetic acid methyl ester Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:(2-Hydroxy-phenyl)-acetic acid methyl ester CAS number:22446-37-3 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C9H10O3 Molecular weight:166.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 海关编码: 2942000000

合成路线

上下游产品

上游产品  10
614-75-5 67-56-1 553-86-6 75-36-5
845786-35-8 70340-04-4 79-22-1 7440-44-0
2065-23-8 93-25-4
下游产品  7
103-82-2 25563-02-4 27798-60-3 34645-84-6
86308-89-6 40525-65-3 114077-60-0

制备

其制备方法是将2-羟基苯乙酸加到含有氯化亚砜的甲醇溶液中，在室温搅拌3h，然后过滤，反应液在减压下浓缩得到的残渣，溶于乙醚，用碳酸氢钠溶液洗涤，水洗，乙醚溶液蒸馏得残渣用乙醚/石油醚重结晶得产品。

海关

海关编码	2918290000
中文概述	2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary	HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%