39604-97-2

• 常用中文名：(4-丙氧基苯基)乙炔
• 常用英文名：1-Eth-1-ynyl-4-propoxybenzene
• CAS号：39604-97-2
• 分子式：C₁₁H₁₂O
• 分子量：160.21200
• 发布时间：2018-04-10 08:00:00
• 更新时间：2024-01-11 09:38:15

名称

• 中文名: (4-丙氧基苯基)乙炔
• 英文名: 1-Ethynyl-4-propoxybenzene
• 中文别名: 4-乙炔基苯丙醚
• 英文别名: 4-n-Propoxyphenylacetylene

物化性质

• 密度: 0.98 g/cm3
• 沸点: 234.2ºC at 760 mmHg
• 分子式: C₁₁H₁₂O
• 分子量: 160.21200
• 精确质量: 160.08900
• PSA: 9.23000
• LogP: 2.45670
• 折射率: 1.518
• 储存条件:

  密封、在 0 ºC下保存

• 稳定性:

  常规情况下不会分解，没有危险反应

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3

  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:4

  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:12

  8.表面电荷:0

  9.复杂度:157

  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 ºC）：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）：93

  6. 沸点（ºC，1mm hg）：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,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

MSDS

Name: 1-Eth-1-ynyl-4-propoxybenzene 97% Material Safety Data Sheet Synonym: 4-n-Propoxyphenylacetylen CAS: 39604-97-2 Section 1 - Chemical Product MSDS Name:1-Eth-1-ynyl-4-propoxybenzene 97% Material Safety Data Sheet Synonym:4-n-Propoxyphenylacetylen Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 39604-97-2 1-Eth-1-ynyl-4-propoxybenzene 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: 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# 39604-97-2: 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: Liquid Color: colorless to yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C11H12O Molecular Weight: 160.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 39604-97-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Eth-1-ynyl-4-propoxybenzene - 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# 39604-97-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 39604-97-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 39604-97-2 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: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi
• 安全声明 (欧洲): S24/25
• 海关编码: 2909309090

合成路线

95306-91-5 ~92% 39604-97-2

文献：Bumagin, N. A.; Ponomarev, A. B.; Beletskaya, I. P. Doklady Chemistry, 1985 , vol. 283, p. 212 - 214 Dokl. Akad. Nauk SSSR Ser. Khim., 1985 , vol. 283, # 3 p. 630 - 633

469859-73-2 ~98% 39604-97-2

文献：Arakawa, Yuki; Nakajima, Shunpei; Ishige, Ryohei; Uchimura, Makoto; Kang, Sungmin; Konishi, Gen-Ichi; Watanabe, Junji Journal of Materials Chemistry, 2012 , vol. 22, # 17 p. 8394 - 8398

95306-89-1 ~% 39604-97-2

文献：Arakawa, Yuki; Nakajima, Shunpei; Ishige, Ryohei; Uchimura, Makoto; Kang, Sungmin; Konishi, Gen-Ichi; Watanabe, Junji Journal of Materials Chemistry, 2012 , vol. 22, # 17 p. 8394 - 8398

95306-89-1 107-19-7 ~% 39604-97-2

文献：Bumagin; Ponomaryov; Beletskaya Synthesis, 1984 , vol. NO. 9, p. 728 - 729

106-41-2 ~% 39604-97-2

文献：Catanescu, Carmen Otilia; Chien; Wu, Shin-Tson Molecular Crystals and Liquid Crystals, 2004 , vol. 411, p. 93/[1135]-102/[1144]

39969-56-7 ~% 39604-97-2

文献：Catanescu, Carmen Otilia; Chien; Wu, Shin-Tson Molecular Crystals and Liquid Crystals, 2004 , vol. 411, p. 93/[1135]-102/[1144]

540-38-5 ~% 39604-97-2

文献：Arakawa, Yuki; Nakajima, Shunpei; Ishige, Ryohei; Uchimura, Makoto; Kang, Sungmin; Konishi, Gen-Ichi; Watanabe, Junji Journal of Materials Chemistry, 2012 , vol. 22, # 17 p. 8394 - 8398

上下游产品

上游产品  6
95306-91-5 95306-89-1 107-19-7 106-41-2
39969-56-7 540-38-5
下游产品  0

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%