2615-15-8

• 常用中文名：六乙二醇
• 常用英文名：hexaethyleneglycol
• CAS号：2615-15-8
• 分子式：C₁₂H₂₆O₇
• 分子量：282.331
• 相关类别： 化学试剂 有机试剂 脂肪醇
• 发布时间：2018-08-08 22:07:56
• 更新时间：2024-01-03 22:44:01
• Hexaethylene glycol 是一种 PROTAC linker,属于 PEG 类。可用于合成 PROTAC 分子。

名称

• 中文名: 六甘醇
• 英文名: hexaethylene glycol
• 中文别名: 六乙烯二醇; 六乙二醇; 六聚乙二醇
• 英文别名: EINECS 220-045-1; HEXAETHYLENE GLYCOL; Polyethylene glycol 300; MFCD00002877; 3,6,9,12,15-Pentaoxaheptadecane-1,17-diol; hexa-PEG-diol; 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol; hexaethyleneglycol; PEG-6; Hexagol; Hexaoxyethylene glycol

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 378.3±0.0 °C at 760 mmHg
• 熔点: 5-7 °C(lit.)
• 分子式: C₁₂H₂₆O₇
• 分子量: 282.331
• 闪点: 193.7±26.5 °C
• 精确质量: 282.167847
• PSA: 86.61000
• LogP: -2.95
• 蒸汽压: 0.0±1.9 mmHg at 25°C
• 折射率: 1.460
• 储存条件:

  密封于阴凉干燥环境。

• 稳定性:

  如果遵照规格使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：69.43

  2、 摩尔体积（cm³/mol）：253.4

  3、 等张比容（90.2K）：641.3

  4、 表面张力（dyne/cm）：41.0

  5、 极化率（10^-24cm³）：27.52

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-1.9

  2.氢键供体数量:2

  3.氢键受体数量:7

  4.可旋转化学键数量:16

  5.互变异构体数量:无

  6.拓扑分子极性表面积86.6

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:141

  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：无可用

  2. 密度（g/mL,25/4℃）：1.127

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：5-7

  5. 沸点（ºC,常压）：217

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.465

  8. 闪点（ºC）：>110

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）： 无可用

  19. 溶解性：无可用

生物活性

• 描述: Hexaethylene glycol 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

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: Hexaethylene glycol CAS-No.: 2615-15-8 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008 This substance is not classified as dangerous according to Directive 67/548/EEC. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogramnone Signal wordnone Hazard statement(s)none Precautionary statement(s) none Supplemental Hazardnone Statements The following percentage of the mixture consists of ingredient(s) with unknown acute toxicity: 100 % The following percentage of the mixture consists of ingredient(s) with unknown hazards to the aquatic environment: 100 % Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Synonyms: 3,6,9,12,15-Pentaoxaheptadecane-1,17-diol Formula: C12H26O7 Molecular Weight: 282,33 g/mol Section4. FIRST AID MEASURES Description of first aid measures If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. In case of skin contact Wash off with soap and plenty of water. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Most important symptoms and effects, both acute and delayed Indication of any immediate medical attention and special treatment needed no data available Section5. FIREFIGHTING MEASURES Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Avoid breathing vapors, mist or gas. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Normal measures for preventive fire protection. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Specific end uses no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls General industrial hygiene practice. Personal protective equipment Eye/face protection Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection impervious clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK (EU EN 14387) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: liquid, clear, viscous Colour: light yellow b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: 5 - 7 °C - lit. point f) Initial boiling point and 217 °C at 5 hPa - lit. boiling range g) Flash point> 113,00 °C - closed cup h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density1,127 g/mL at 25 °C n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Autoignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity LD50 Oral - rat - 32.000 mg/kg Remarks: Behavioral:Somnolence (general depressed activity). Gastrointestinal:Other changes. Kidney, Ureter, Bladder:Other changes. Skin corrosion/irritation Serious eye damage/eye irritation Eyes - rabbit - Mild eye irritation Respiratory or skin sensitization no data available Germ cell mutagenicity Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity Specific target organ toxicity - single exposure Specific target organ toxicity - repeated exposure Aspiration hazard Potential health effects InhalationMay be harmful if inhaled. May cause respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. May cause skin irritation. EyesMay cause eye irritation. Additional Information RTECS: MM3670000 Section12. ECOLOGICAL INFORMATION Toxicity no data available Persistence and degradability no data available Bioaccumulative potential Mobility in soil Results of PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available Section15. REGULATORY INFORMATION This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment no data available Section16. OTHER INFORMATION Further information Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

毒性和生态

毒理学数据: 急性毒性： 口腔 LD50 20mg/kg(guinea pig) 32mg/kg(rat) 刺激眼睛 mid 500mg(rbt) 主要的刺激性影响： 在皮肤上面：可能引起发炎 在眼睛上面：可能引起发炎 致敏作用：没有已知的敏化影响。 生态学数据: 总括注解 水危害级别1（德国规例）（通过名单进行自我评估）该物质对水有稍微危害的。 不要让未稀释或大量的产品接触地下水、水道或污水系统。 若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : MM3670000 CHEMICAL NAME : Hexaethylene glycol CAS REGISTRY NUMBER : 2615-15-8 BEILSTEIN REFERENCE NO. : 1638281 LAST UPDATED : 199612 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C12-H26-O7 MOLECULAR WEIGHT : 282.38 WISWESSER LINE NOTATION : Q2/O2/ 5Q HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 32 gm/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 20 gm/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941

安全

• 个人防护装备: Eyeshields;Gloves
• 危害码 (欧洲): Xn
• 安全声明 (欧洲): S23-S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 2
• RTECS号: MM3670000
• 海关编码: 2909499000

合成路线

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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%