768-60-5

• 常用中文名：4-甲氧基苯乙炔
• 常用英文名：4-Ethynylanisole
• CAS号：768-60-5
• 分子式：C₉H₈O
• 分子量：132.16
• 相关类别： 化学试剂 有机试剂 醚类
• 发布时间：2018-04-03 08:00:00
• 更新时间：2024-01-03 13:16:30
• 4-乙炔基硅烷是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。

名称

• 中文名: 4-乙炔基苯甲醚
• 英文名: 4-Ethynylanisole
• 中文别名: 1-乙炔-4-甲氧基苯; 4-甲氧基苯乙炔; 1-乙炔基-4-茴香醚
• 英文别名: 4-Ethynylmethoxybenzene; 1-Ethynyl-4-methoxybenzene; P-ETHYNYLANISOLE; Anisylacetylene; 4-ethynyl-1-methoxy-benzene; 4-methoxyphenylacetylene; MFCD00168815; p-methoxyphenylacetylene; 4-Ethynylanisole; 4-Ethynylphenyl methyl ether; 1-eth-1-ynyl-4-methoxybenzene; Benzene, 1-ethynyl-4-methoxy-; p-Methoxyphenylethyne

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 194.8±23.0 °C at 760 mmHg
• 熔点: 28-29 °C(lit.)
• 分子式: C₉H₈O
• 分子量: 132.16
• 闪点: 63.5±18.3 °C
• 精确质量: 132.057510
• PSA: 9.23000
• LogP: 2.32
• 外观性状: 淡黄色油状
• 蒸汽压: 0.6±0.4 mmHg at 25°C
• 折射率: 1.530
• 储存条件:

  保持容器密封，储存在阴凉，干燥的地方

• 稳定性:

  常温常压下稳定，避免氧化剂接触

• 分子结构:

  1、 摩尔折射率：40.17

  2、 摩尔体积（m³/mol）：130.0

  3、 等张比容（90.2K）：321.7

  4、 表面张力（dyne/cm）：37.4

  5、 介电常数：

  6、 偶极距（10 ^-24cm ³）：

  7、 极化率：15.92

• 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:1

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积9.2

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:134

  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℃）：1.019g/mL

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：28-29°C

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC, 11mm Hg）：87-91°C

  7. 折射率：n 20/D 1.563

  8. 闪点（º F）：180°F

  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,25ºC）：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: 4-乙炔基硅烷是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 体外研究: 4-乙炔醇用于通过 [4+2]环加成反应合成光致发光 1、2-二氢膦。

MSDS

Name: 1-Eth-1-ynyl-4-methoxybenzene 97% Material Safety Data Sheet Synonym: 4-Methoxyphenylacetylen CAS: 768-60-5 Section 1 - Chemical Product MSDS Name:1-Eth-1-ynyl-4-methoxybenzene 97% Material Safety Data Sheet Synonym:4-Methoxyphenylacetylen Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 768-60-5 1-Eth-1-ynyl-4-methoxybenzene 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. 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. Combustible solid. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 768-60-5: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: colorless to yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 87 - 91 deg C @11mmHg Freezing/Melting Point: 28 - 30 deg C Autoignition Temperature: Not available. Flash Point: 82 deg C ( 179.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.019 Molecular Formula: C9H8O Molecular Weight: 132 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 768-60-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Eth-1-ynyl-4-methoxybenzene - 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 No information available. IMO No information available. RID/ADR No information available. 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. WGK (Water Danger/Protection) CAS# 768-60-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 768-60-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 768-60-5 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

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): S24/25
• 危险品运输编码: UN 1325 4.1/PG 2
• WGK德国: 3
• 包装等级: II
• 危险类别: 4.1
• 海关编码: 2909309090

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海关

海关编码	2909309090
中文概述	2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物（包括亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。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	2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%