5-乙基-2-羟基苯甲酸 | 51-27-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-乙基-2-羟基苯甲酸
• 中文别名: 2-羟基-5-乙基苯甲酸
• 英文名称: 5-ethyl-2-hydroxy-benzoic acid
• 英文别名: 2-hydroxy-5-ethylbenzoic acid；5-ethyl-2-hydroxybenzoic acid；5-ethylsalicylic acid；5-Aethyl-2-hydroxy-benzoesaeure；6-Oxy-3-aethyl-benzol-carbonsaeure-(1)；5-Aethyl-salicylsaeure
• CAS: 51-27-4
• 化学式: C₉H₁₀O₃
• mdl: MFCD11203618
• 分子量: 166.177
• InChiKey: WYIAFSIUYJGIPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2918290000

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Ethyl-2-hydroxybenzoic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 5-Ethyl-2-hydroxybenzoic acid
CAS number: 51-27-4

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Section 4. 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.

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Section 5. 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.

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Section 6. 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.

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Section 7. 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:

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Section 8. 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.

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Section 9. 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

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. 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.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. 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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-乙基-2-羟基苯甲酸 在 吡啶 、 氯化亚砜 作用下， 以 Petroleum ether 为溶剂， 反应 6.0h， 生成 5-乙基-2-羟基苯甲酰氯
  参考文献：
  名称：

  Antianaphylactic benzophenones and related compounds

  摘要：

  The synthesis and biological properties of 85 benzophenones and related compounds are described. The majority of the compounds inhibit the release of leukotrienes (LT) C4 and D4 in vitro from sensitized guinea pig chopped lung. In addition, some of the compounds inhibited the release of LTs from passively sensitized human chopped lung and protected guinea pigs from the effects of anaphylaxis in a modified Herxheimer test.

  DOI：

  10.1021/jm00391a010
• 作为产物：
  描述：

  5-乙酰基水杨酸 在 盐酸 、 amalgamated zinc 作用下， 生成 5-乙基-2-羟基苯甲酸
  参考文献：
  名称：

  Shah; Shah, Journal of the Indian Chemical Society, 1949, vol. 26, p. 235,237

  摘要：

  DOI：

文献信息

• [EN] WDR5-MYC INHIBITORS<br/>[FR] INHIBITEURS DE WDR5-MYC
  申请人：UNIV VANDERBILT

  公开号：WO2021021951A1

  公开（公告）日：2021-02-04

  Substituted N-phenyl sulfonamide compounds inhibit WDR5-MYC interactions, and the compounds and their pharmaceutical compositions are useful for treating disorders and conditions in a subject, such as cancer cell proliferation.

  取代的N-苯基磺酰胺化合物可以抑制WDR5-MYC相互作用，这些化合物及其药物组合物可用于治疗受试者中的疾病和状况，如癌细胞增殖。
• Microwave-Assisted Synthesis of Benzofuran-3(2H)-ones
  作者：Xiaojing Hu、Huimin Lai、Fangfei Zhao、Shuyu Hu、Qianqian Sun、Lizhen Fang

  DOI：10.17344/acsi.2019.5104

  日期：——

  A new method for synthesis of benzofuran-3(2H)-one under microwave condition was investigated. The reaction conditon was screened and the eligible scope of benzoate substrates was also examined. It showed that this method could provide a short and facile way to obtain these important dihydrobenzofuranones in yield 43% to 58%.

  研究了微波条件下合成苯并呋喃-3（2H）-一的新方法。筛选反应条件，并检查苯甲酸酯底物的合格范围。结果表明，该方法可以简便快捷地获得这些重要的二氢苯并呋喃酮，收率为43％至58％。
• [EN] COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME<br/>[FR] COMPOSÉS UTILES DANS LE TRAITEMENT DE TROUBLES MÉTABOLIQUES ET LEUR SYNTHÈSE
  申请人：UNIV NORTH CAROLINA

  公开号：WO2014165816A1

  公开（公告）日：2014-10-09

  The present invention provides compounds of Formula (I): wherein variables X, Y, Z and R1 are as described herein. Some of the compounds described herein are glutamate dehydrogenase activators. The invention is also directed to pharmaceutical compositions comprising these compounds, uses of these compounds and compositions in the treatment of metabolic disorders as well as synthesis of the compounds.

  本发明提供了式(I)化合物：其中变量X、Y、Z和R1如本文所述。本文所述的一些化合物是谷氨酸脱氢酶激活剂。本发明还涉及包含这些化合物的药物组合物、这些化合物和组合物在治疗代谢紊乱中的用途以及这些化合物的合成。
• Oral care compositions with color changing indicator
  申请人：Sabnis W. Ram

  公开号：US20060222601A1

  公开（公告）日：2006-10-05

  The invention describes color changing toothpastes and mouthwashes which contains acid-base indicator(s) for interaction with the oral cavity to provide a color change indicative of treatment time.

  这项发明描述了含有酸碱指示剂的变色牙膏和漱口水，用于与口腔相互作用，以提供治疗时间的颜色变化指示。
• [EN] HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE<br/>[FR] DÉRIVÉ D'ESTER D'ACIDE HÉTÉROARYLCARBOXYLIQUE
  申请人：AJINOMOTO KK

  公开号：WO2013187533A1

  公开（公告）日：2013-12-19

  Compounds represented by the following formula (I); wherein each symbol is as defined in the specification, are useful as hyperglycemic inhibitors having a serine protease inhibitory action and as prophylactic or therapeutic drugs for diabetes.

  以下公式（I）代表的化合物；其中每个符号如规范中定义，对于具有丝氨酸蛋白酶抑制作用的高血糖抑制剂以及糖尿病的预防或治疗药物是有用的。