557-25-5

• 常用中文名：丁酸甘油酯
• 常用英文名：Butanoic acid,2,3-dihydroxypropyl ester
• CAS号：557-25-5
• 分子式：C₇H₁₄O₄
• 分子量：162.18400
• 发布时间：2018-07-19 09:03:43
• 更新时间：2024-01-02 00:19:46

• 用作醋酸纤维素涂料，碱性染料等的溶剂。在皮革鞣制和炸药制造时也作溶剂使用。且具有杀虫作用。

名称

• 中文名: 丁酸甘油酯
• 英文名: monobutyrin
• 英文别名: 3-Butyryloxy-propan-1,2-diol; BUTYRIN,MONO; MONOBUTYRIN; Butyrin,1-mono; 2,3-dihydroxypropyl butanoate; 1-Butyrin; 2-O-Butyrylglycerol; 1-MONOBUTYRIN; 3-butyryloxy-propane-1,2-diol; EINECS 209-165-5; Mono-n-butyrin; 2,3-dihydroxypropyl butyrate; 1-BUTYROYLGLYCEROL; MFCD00041830

物化性质

• 密度: 1.134g/cm3
• 沸点: 280.5ºC at 760mmHg
• 分子式: C₇H₁₄O₄
• 分子量: 162.18400
• 闪点: 111.3ºC
• 精确质量: 162.08900
• PSA: 66.76000
• 外观性状: 无色至灰色油状液体
• 折射率: 1.445-1.453
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  常温常压下稳定，避免与强氧化剂接触。

• 分子结构:

  1、 摩尔折射率：39.28

  2、 摩尔体积（cm³/mol）：142.9

  3、 等张比容(90.2K)：366.2

  4、 表面张力(dyne/cm)：43.0

  5、 极化率(10-24cm³)：15.57

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:4

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积66.8

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:113

  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：无色或浅黄色透明液体

  2. 密度（g/mL,20/4℃）：1.1344

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：-70

  5. 沸点（ºC,常压）：153

  6. 沸点（ºC,0.53KPa）：139~140

  7. 折射率（24ºC）：1.4500

  8. 闪点（ºC）：＞110

  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,150ºC）：0.93

  12. 溶解度（%,30ºC,水）：0.750

  13. 蒸发热（KJ/kg）：497.1

  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：能与水、醇、氯代烃混溶，醚和苯中部分溶解，不溶于石油醚。

MSDS

Name: 1-Monobutyrin (Pract) Material Safety Data Sheet Synonym: Butanoic Acid, 2,3-Dihydroxypropyl Ester CAS: 557-25-5 Section 1 - Chemical Product MSDS Name:1-Monobutyrin (Pract) Material Safety Data Sheet Synonym:Butanoic Acid, 2,3-Dihydroxypropyl Ester Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 557-25-5 1-Monobutyrin (Pract) ca. 100% 209-165-5 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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. 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. 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. Notes to Physician: 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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 557-25-5: 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 minimize contact with skin. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Clear liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 153 deg C @ 7.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.0900g/cm3 Molecular Formula: C7H14O4 Molecular Weight: 162.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 557-25-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Monobutyrin (Pract) - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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# 557-25-5: No information available. Canada CAS# 557-25-5 is listed on Canada's NDSL List. CAS# 557-25-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 557-25-5 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 安全声明 (欧洲): S24/25

合成路线

制备

精制方法：无水硫酸钠干燥后减压蒸馏。