23601-40-3

• 常用中文名：六乙二醇一甲醚
• 常用英文名：2,5,8,11,14,17-Hexaoxanonadecan-19-ol
• CAS号：23601-40-3
• 分子式：C₁₃H₂₈O₇
• 分子量：296.357
• 相关类别： 催化剂及助剂 聚乙二醇衍生物
• 发布时间：2018-05-18 08:00:00
• 更新时间：2024-01-02 12:43:59
• Hexaethylene glycol monomethyl ether 是一种 PROTAC linker,属于 PEG 类。可用于合成 PROTAC 分子。

名称

• 中文名: 六乙二醇单甲醚
• 英文名: hexaethylene glycol monomethyl ether
• 中文别名: 六乙二醇一甲醚
• 英文别名: 2,5,8,11,14,17-Hexaoxanonadecan-19-ol; hexa-PEG monomethyl ether; methoxy polyethyleneglycol tosylate; methoxyhexaethylene glycol; EINECS 245-775-8; 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol; 3,6,9,12,15,18-Hexaoxanonadecan-1-ol; Hexaethylene glycol monomethyl ether

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 375.6±37.0 °C at 760 mmHg
• 分子式: C₁₃H₂₈O₇
• 分子量: 296.357
• 闪点: 180.9±26.5 °C
• 精确质量: 296.183502
• PSA: 75.61000
• LogP: -2.59
• 蒸汽压: 0.0±1.9 mmHg at 25°C
• 折射率: 1.446
• 储存条件: 室温，干燥，密封
• 分子结构:

  1、 摩尔折射率：74.28

  2、 摩尔体积（m³/mol）：278.8

  3、 等张比容（90.2K）：684.0

  4、 表面张力（dyne/cm）：36.2

  5、 极化率（10 ^-24cm ³）：29.44

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-1.3

  2.氢键供体数量:1

  3.氢键受体数量:7

  4.可旋转化学键数量:17

  5.互变异构体数量:无

  6.拓扑分子极性表面积75.6

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:169

  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：未确定

  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）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  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

生物活性

• 描述: Hexaethylene glycol monomethyl ether 是一种 PROTAC linker,属于 PEG 类。可用于合成 PROTAC 分子。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 蛋白裂解靶向嵌合体 >> PROTAC Linker
• 靶点:

  PEGs

• 体外研究: PROTACs包含两种不同的配体,它们通过连接体连接；一种是E3泛素连接酶的配体,另一种是靶蛋白的配体。PROTACs利用细胞内泛素-蛋白酶体系统选择性降解靶蛋白[1]。
• 参考文献:

  [1]. An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562

MSDS

Hexaethylene Glycol Monomethyl Ether Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Hexaethylene Glycol Monomethyl Ether Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified Not classified HEALTH HAZARDS ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbolsNone No signal word Signal word Hazard statementsNone None Precautionary statements: Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:Hexaethylene Glycol Monomethyl Ether Percent:>96.0%(GC) CAS Number:23601-40-3 Chemical Formula:C13H28O7 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Unsuitable extinguishing Solid streams of water media: Hexaethylene Glycol Monomethyl Ether Section5. FIRE-FIGHTING MEASURES Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Wash hands and face thoroughly after handling. Use a ventilation, local exhaust if vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store under inert gas. Protect from moisture. Store away from incompatible materials such as oxidizing agents. Hygroscopic Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Hand protection:Protective gloves. Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Clear Form: Colour:Colorless - Pale yellow No data available Odour: pH: No data available Melting point/freezing point:No data available Boiling point/range:167°C/0.1kPa No data available Flash point: Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:1.08 Hexaethylene Glycol Monomethyl Ether Section9. PHYSICAL AND CHEMICAL PROPERTIES Solubility(ies): No data available [Water] [Other solvents]No data available Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Hexaethylene Glycol Monomethyl Ether SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 海关编码: 2909499000

合成路线

上下游产品

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海关

海关编码	2909499000
中文概述	2909499000 其他醚醇及其卤化、磺化、硝化或亚硝化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%