886-77-1

• 常用中文名：1,5-双-(2-呋喃)-1,4-戊二烯-3-酮
• 常用英文名：1,4-Pentadien-3-one,1,5-di-2-furanyl-
• CAS号：886-77-1
• 分子式：C₁₃H₁₀O₃
• 分子量：214.21700
• 发布时间：2018-10-22 19:28:08
• 更新时间：2024-01-02 19:20:42

• 烯烃弹性体和二元和三元乙丙胶过氧化物硫化的共交联剂和助硫化剂。在三元乙丙胶中可代替硫磺，减少硫化胶加工时的臭味。制成的胶料具有交联度高、定伸应力高、模量高、无气味、硫化速度快、耐热性能好的特点。还可提高胶料的抗焦烧性。

名称

• 中文名: 1,5-双-(2-呋喃)-1,4-戊二烯-3-酮
• 英文名: 1,5-bis-(2-furanyl)-1,4-pentadien-3-one
• 中文别名: 1,5-双-(2-呋喃基)-1,4-戊二烯-3-酮
• 英文别名: DIFA; 1,5-di-2-furanyl-4-pentadien-3-one; 1,5-di-2-furanyl-1,4-pentadien-3-one; EINECS 212-955-2; Difurfurylideneacetone; 1,5-Difuryl-1,4-pentadien-3-one; 1,5-di-furan-2-yl-penta-1,4-dien-3-one; 1,5-di-2-furyl-4-pentadien-3-one; 1,3-difurfurylideneacetone; 1,5-di-2-furylpenta-1,4-dien-3-one; 1,5-di-2-furyl-3-pentadienon

物化性质

• 密度: 1.2g/cm3
• 沸点: 347.9ºC at 760 mmHg
• 熔点: 51-55ºC
• 分子式: C₁₃H₁₀O₃
• 分子量: 214.21700
• 闪点: 163.2ºC
• 精确质量: 214.06300
• PSA: 43.35000
• LogP: 3.16830
• 外观性状: 橙色-棕色至红色-棕色结晶粉末
• 折射率: 1.614
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 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:3

  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43.4

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:266

  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:2

  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：黄棕色或红棕色结晶性粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：51-55

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,11mmHg）：未确定

  7. 折射率(n20/D)：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,55ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：溶于水

MSDS

Name: 1 5-Bis-(2-Furanyl)-1 4-Pentadien-3-One 98% Material Safety Data Sheet Synonym: 1,3-Difurfurylideneacetone; DIFA CAS: 886-77-1 Section 1 - Chemical Product MSDS Name:1 5-Bis-(2-Furanyl)-1 4-Pentadien-3-One 98% Material Safety Data Sheet Synonym:1,3-Difurfurylideneacetone; DIFA Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 886-77-1 1,5-Bis-(2-Furanyl)-1,4-Pentadien-3-On 98% 212-955-2 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Immediately 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 886-77-1: Russia: 10 mg/m3 TWA Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 50 - 53 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Soluble. Specific Gravity/Density: Molecular Formula: C13H10O3 Molecular Weight: 214.0682 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 886-77-1: RZ2476660 LD50/LC50: Not available. Carcinogenicity: 1,5-Bis-(2-Furanyl)-1,4-Pentadien-3-One - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 886-77-1: No information available. Canada CAS# 886-77-1 is listed on Canada's NDSL List. CAS# 886-77-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 886-77-1 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、急性毒性：大鼠LD50：2760mg/kg；小鼠LD50：2660mg/kg；兔子LD50：1615mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : RZ2476660 CHEMICAL NAME : 1,4-Pentadien-3-one, 1,5-di-2-furanyl- CAS REGISTRY NUMBER : 886-77-1 LAST UPDATED : 199701 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C13-H10-O3 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2760 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(8),87,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2660 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(8),87,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 1615 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(8),87,1987

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 37/39-26
• 海关编码: 2932190090

合成路线

98-01-1 67-64-1 ~33% 623-15-4 886-77-1

文献：Journal of Chemical Research, Miniprint, , # 10 p. 2674 - 2686

98-01-1 623-15-4 ~% 886-77-1

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 5 p. 1333 - 1337

623-15-4 ~% 886-77-1

文献：Bulet Soc. Chim. Romania, , vol. 16, p. 117,118

98-01-1 67-64-1 ~96% 886-77-1

文献：Rule; Detty; Kaeding; Sinicropi Journal of Organic Chemistry, 1995 , vol. 60, # 6 p. 1665 - 1673

98-01-1 56-23-5 141-79-7 7732-18-5 ~% 详细

文献：Bulletin of the Chemical Society of Japan, , vol. 29, p. 822

上下游产品

上游产品  6
98-01-1 67-64-1 623-15-4 56-23-5
141-79-7 7732-18-5
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21133-22-2 505-52-2 5467-13-0 6265-26-5
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海关

海关编码	2932190090
中文概述	2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%