4437-85-8

• 常用中文名：4-乙基-1,3-二恶烷-2-酮
• 常用英文名：1,2-Butylene Carbonate
• CAS号：4437-85-8
• 分子式：C₅H₈O₃
• 分子量：116.11500
• 发布时间：2018-12-31 18:42:25
• 更新时间：2024-01-04 11:24:19

名称

• 中文名: 4-乙基-1,3-二恶烷-2-酮
• 英文名: 1,2-Butylene Carbonate
• 中文别名: 碳酸1,2-丁烯酯; 碳酸1,2-丁烯酯; 4-乙基-1,3-二噁烷-2-酮
• 英文别名: MFCD00143317; 4-ETHYL-1,3-DIOXOLAN-2-ONE; EINECS 403-780-4

物化性质

• 密度: 1.107g/cm3
• 沸点: 238.7ºC at 760mmHg
• 熔点: -45ºC
• 分子式: C₅H₈O₃
• 分子量: 116.11500
• 闪点: 128.4ºC
• 精确质量: 116.04700
• PSA: 35.53000
• LogP: 0.93180
• 外观性状: 透明无色液体
• 折射率: 1.426-1.428
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  避免与不相容材料接触。与强氧化剂反应。

• 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:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积35.5

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:99.8

  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:1

  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：无色透明液体

  2. 密度（g/mL,20℃）：1.141

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：-45

  5. 沸点（ºC,常压）：251

  6. 沸点（ºC,0.2mmHg）：未确定

  7. 折射率(n20/D)：1.426-1.428

  8. 闪点（ºC）：135

  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（mPa,20ºC）：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：未确定

MSDS

1,2-Butylene Carbonate Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:1,2-Butylene Carbonate Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements None Pictograms or hazard symbols Signal wordNo signal word None Hazard statement Precautionary statementsNone Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):1,2-Butylene Carbonate Percent:>98.0%(GC) CAS Number:4437-85-8 Synonyms:4-Ethyl-1,3-dioxolan-2-one Chemical Formula:C5H8O3 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Extinguishing media not to Solid streams of water be used: 1,2-Butylene Carbonate Section5. FIRE-FIGHTING MEASURES Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapor or mist. Wash hands and face thoroughly after handling. Use a ventilation, local exhaust if vapor or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Keep container tightly closed. Store in a cool and dark place. Storage conditions: Store away from incompatible materials such as oxidizing agents. Law is followed. Packaging material: Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Form:clear Color:Colorless - Very pale yellow Odor:Characteristic pH: No data available Melting point/freezing point:No data available Boiling Point/Range:74 °C/0.2kPa Flash Point:135°C Explosive limits Lower:No data available Upper:No data available Vapor Density:4 Density:1.15 Solubility:No data available Autoignition Temperature:421°C Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. 1,2-Butylene Carbonate Section10. STABILITY AND REACTIVITY Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: skn-rbt 500 mg MLD eye-rbt 100 mg MLD Serious eye damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available RTECS Number:JI4582000 Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available No data available Crustacea: Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil No data available log Pow: Soil adsorption (Koc):No data available No data available Henry's Law constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Does not correspond to the classification standard of the United Nations Hazards Class: UN-No:Not Listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. 1,2-Butylene Carbonate SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、皮肤/眼睛刺激性 标准的Draize试验：兔子，皮肤接触：500mg；反应的严重程度：轻度。 标准的Draize试验：兔子，眼睛接触：100mg；反应的严重程度：轻度。 2 、急性毒性：大鼠经口LD50：>5mg/kg；兔子经皮肤接触LD50：>2mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : JI4582000 CHEMICAL NAME : 1,3-Dioxolan-2-one, 4-ethyl- CAS REGISTRY NUMBER : 4437-85-8 BEILSTEIN REFERENCE NO. : 0108553 LAST UPDATED : 199701 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C5-H8-O3 MOLECULAR WEIGHT : 116.13 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,12,1990 TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,12,1990 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,11,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,11,1990

安全

• 安全声明 (欧洲): S24/25
• 危险品运输编码: UN 1993
• 包装等级: III
• 危险类别: 3.2

合成路线

201230-82-2 584-03-2 ~95% 4437-85-8

文献：Pearson, David M.; Conley, Nicholas R.; Waymouth, Robert M. Advanced Synthesis and Catalysis, 2011 , vol. 353, # 16 p. 3007 - 3013

106-88-7 124-38-9 ~99% 4437-85-8

文献：Baba, Akio; Nozaki, Takashi; Matsuda, Haruo Bulletin of the Chemical Society of Japan, 1987 , vol. 60, p. 1552 - 1554

124-38-9 1774-47-6 123-38-6 ~63% 4437-85-8

文献：Aher, Ravindra D.; Kumar, B. Senthil; Sudalai, Arumugam Synlett, 2014 , vol. 25, # 1 art. no. ST-2013-B0676-L, p. 97 - 101

584-03-2 ~% 4437-85-8

文献：Texaco Chemical Company Patent: US5003084 A1, 1991 ;

106-88-7 15719-64-9 ~% 4437-85-8

文献：Jefferson Chem. Co. Patent: US2773070 , 1952 ;

上下游产品

上游产品  6
201230-82-2 584-03-2 106-88-7 124-38-9
1774-47-6 123-38-6
下游产品  2
67-56-1 584-03-2