17088-28-7

• 常用中文名：1,4-苯二丙烯酸二乙酯
• 常用英文名：Diethyl 1,4-Phenylenediacrylate
• CAS号：17088-28-7
• 分子式：C₁₆H₁₈O₄
• 分子量：274.31200
• 发布时间：2018-06-20 09:33:29
• 更新时间：2024-01-14 11:52:47

名称

• 中文名: 1,4-苯二丙烯酸二乙酯
• 英文名: 1,4-phenylenediacrylic acid diethyl ester
• 中文别名: 1,4-聚苯二丙烯酸二乙酯
• 英文别名: Diethyl p-Phenylen-; EINECS 241-150-9

物化性质

• 密度: 1.122 g/cm3
• 沸点: 415.8ºC at 760 mmHg
• 熔点: 95ºC
• 分子式: C₁₆H₁₈O₄
• 分子量: 274.31200
• 闪点: 207.5ºC
• 精确质量: 274.12100
• PSA: 52.60000
• LogP: 2.83920
• 蒸汽压: 4.01E-07mmHg at 25°C
• 折射率: 1.569
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：80.11

  2、 摩尔体积（m³/mol）：244.3

  3、 等张比容（90.2K）：621.7

  4、 表面张力（3.0 dyne/cm）：41.9

  5、 极化率（0.5 10 ^-24cm ³）：31.75

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：3.2

  2、 氢键供体数量：0

  3、 氢键受体数量：4

  4、 可旋转化学键数量：8

  5、 拓扑分子极性表面积（TPSA）：52.6

  6、 重原子数量：20

  7、 表面电荷：0

  8、 复杂度：327

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：2

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状：不确定

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：95

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Section I.Chemical Product and Company Identification Chemical Name 1,4-Phenylenediacrylic Acid Diethyl Ester Portland OR Synonym2-Propenoic Acid, 3,3'-(1,4-Phenylene)bis-, Diethyl Ester (9 CI) Chemical FormulaC6H4(CH:CHCOOCH2CH3)2 CAS Number17088-28-7 Section II.Composition and Information on Ingredients Toxicology Data Chemical NameCAS Number Percent (%)TLV/PEL 1,4-Phenylenediacrylic Acid Diethyl Ester17088-28-7 Not available. Not available.Not available. Section III. Hazards Identification Acute Health EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However, exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Chronic Health EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 Eye Contact minutes. Get medical attention. In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing Skin Contact before reuse. Thoroughly clean shoes before reuse. Get medical attention. If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or Inhalation waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not improve. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. SEEK IMMEDIATE MEDICAL ATTENTION in case of ingestion of a radioactive material. Section V.Fire and Explosion Data Not available. Auto-Ignition FlammabilityMay be combustible at high temperature. Flammable LimitsNot available. Flash PointsNot available. Combustion ProductsThese products are toxic carbon oxides (CO, CO2). Fire Hazards Not available. Risks of explosion of the product in presence of mechanical impact: Not available. Explosion Hazards Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting Media SMALL FIRE: Use DRY chemical powder. LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. and Instructions Consult with local fire authorities before attempting large scale fire-fighting operations. Continued on Next Page 1,4-Phenylenediacrylic Acid Diethyl Ester Section VI.Accidental Release Measures Spill CleanupUse a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on Instructions disposal. Section VII. Handling and Storage Handling and StorageKeep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust. Information Always store away from incompatible compounds such as oxidizing agents. Section VIII. Exposure Controls/Personal Protection Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended Engineering Controls exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a Personal Protection specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Exposure LimitsNot available. Section IX. Physical and Chemical Properties Solid.Solubility Physical state @ 20°CNot available. Not available. Specific Gravity 274.31 Molecular WeightPartition CoefficientNot available. Boiling PointNot available.Vapor PressureNot applicable. 95°C (203°F)Not available. Melting PointVapor Density Not available.VolatilityNot available. Refractive Index Not available. Critical TemperatureNot available.Odor ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityAvoid excessive heat and light. Incompatibilities Reactive with oxidizing agents. Section XI. Toxicological Information Not available. RTECS Number Routes of ExposureEye Contact. Ingestion. inhalation. Not available. Toxicity Data Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Acute Toxic EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However, exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Section XII.Ecological Information Not available. Ecotoxicity Not available. Environmental Fate Continued on Next Page 1,4-Phenylenediacrylic Acid Diethyl Ester Section XIII. Disposal Considerations Waste DisposalRecycle to process, if possible. Consult your local regional authorities. You may be able to dissove or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and locl regulations when disposing of the substance. Section XIV. Transport Information Not a DOT controlled material (United States). DOT Classification PIN NumberNot applicable. Proper Shipping NameNot applicable. Packing Group (PG)Not applicable. DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list. (EPA) WHMIS ClassificationOn NDSL. (Canada) EINECS Number (EEC) 214-150-9 EEC Risk StatementsNot available. SECTION 16 - ADDITIONAL INFORMATION N/A

合成路线

624-38-4 140-88-5 ~93% 17088-28-7

文献：Li, Yangzhou; Li, Zhiming; Li, Feng; Wang, Quanrui; Tao, Fenggang Tetrahedron Letters, 2005 , vol. 46, # 36 p. 6159 - 6162

623-73-4 623-27-8 ~95% 17088-28-7

文献：Sun, Wei; Yu, Bingsheng; Kuehn, Fritz E. Tetrahedron Letters, 2006 , vol. 47, # 12 p. 1993 - 1996

589-29-7 1099-45-2 ~85% 17088-28-7

文献：Vatele, Jean-Michel Tetrahedron Letters, 2006 , vol. 47, # 5 p. 715 - 718

589-87-7 140-88-5 ~22% 17088-28-7 24393-53-1

文献：Moreno-Manas, Marcial; Perez, Montserrat; Pleixats, Roser Tetrahedron Letters, 1996 , vol. 37, # 41 p. 7449 - 7452

867-13-0 623-27-8 100-51-6 ~% 17088-28-7 详细

文献：Mouloungui, Z.; Elmestour, R.; Delmas, M.; Gaset, A. Tetrahedron, 1992 , vol. 48, # 7 p. 1219 - 1232

867-13-0 623-27-8 ~% 17088-28-7

文献：Grinev,G.V. et al. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1972 , vol. 21, p. 598 - 600 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1972 , vol. 21, # 3 p. 635 - 637