26171-83-5

• 常用中文名：(±)1,2-丁二醇
• 常用英文名：1,2-butanediol
• CAS号：26171-83-5
• 分子式：C₄H₁₀O₂
• 分子量：90.121
• 发布时间：2018-06-21 05:34:28
• 更新时间：2024-01-02 12:19:24
• 【用途一】
  1，2-丁二醇是杀菌剂乙环唑的中间体。
  【用途二】
  用于有机合成，制备2-氨基丁醇等。

名称

• 中文名: (±)1,2-丁二醇
• 英文名: 1,2-butanediol
• 中文别名: 1,2-二丁酮
• 英文别名: MFCD00004570; ±-1,2-Butanediol; 1,2-Dihydroxybutane; 1,2-butanediol; 1,2-Butanediol, (±)-; EINECS 209-527-2; Butanediol, 1,2-; butane-1,2-diol; 1,2-(Dihydroxy)butane

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 190.3±8.0 °C at 760 mmHg
• 熔点: -50ºC
• 分子式: C₄H₁₀O₂
• 分子量: 90.121
• 闪点: 93.3±0.0 °C
• 精确质量: 90.068077
• PSA: 40.46000
• LogP: -0.81
• 蒸汽压: 0.1±0.8 mmHg at 25°C
• 折射率: 1.438
• 稳定性:

  硝酸氧化生成羟基乙酸、二羟基乙酸。

• 分子结构:

  1、 摩尔折射率：23.60

  2、 摩尔体积（cm³/mol）：89.9

  3、 等张比容（90.2K）：222.1

  4、 表面张力（dyne/cm）：37.1

  5、 极化率（10^-24cm³）：9.35

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：-0.2

  2、 氢键供体数量：2

  3、 氢键受体数量：2

  4、 可旋转化学键数量：2

  5、 拓扑分子极性表面积（TPSA）：40.5

  6、 重原子数：6

  7、 表面电荷：0

  8、 复杂度： 28.7

  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：1

  12、 确定化学键立构中心数量：0

  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： 无色液体，有甜味。

  2. 相对密度（g/mL,20/4℃）：1.0024

  3. 相对密度（25℃，4℃）：0.9987

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,101.3kPa）：191

  6. 常温折射率（n²⁵）：1.4360

  7. 折射率（n20ºC）：1.4376

  8. 闪点（ºF）：300

  9. 液相标准燃烧热(焓)(kJ·mol^-1)：-2479.6

  10. 液相标准声称热(焓)( kJ·mol^-1)：-523.6

  11. 临界温度（ºC）：406.85

  12. 临界压力（MPa）：5.2

  13.临界密度（g·cm^-3）：0.297

  14. 临界体积（cm³·mol^-1）：303

  15. 临界压缩因子：0.279

  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：微溶于水，溶于乙醇、苯等。

MSDS

Name: 1 2-Butanediol 98% Material Safety Data Sheet Synonym: 1,2-Butylene glycol; 1,2-Dihydroxybutan CAS: 26171-83-5 Section 1 - Chemical Product MSDS Name:1 2-Butanediol 98% Material Safety Data Sheet Synonym:1,2-Butylene glycol; 1,2-Dihydroxybutan Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 26171-83-5 1,2-Butanediol 98 unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: Causes eye irritation. May result in corneal injury. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. May cause kidney damage. May cause central nervous system depression. Inhalation: May cause effects similar to those described for ingestion. May cause respiratory tract irritation. Chronic: May cause kidney injury. Exposure to large doses may cause central nervous system depression. 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: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. Use water spray to keep fire-exposed containers cool. Combustible liquid. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: Use water spray to cool fire-exposed containers. Use alcohol 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. 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. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. 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 adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 26171-83-5: 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 prevent skin exposure. 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: Viscous liquid Color: colorless viscous Odor: None reported. pH: Not available. Vapor Pressure: 0.0501 mm Hg @ 25 C Viscosity: 7.3 mPa 20 C Boiling Point: 194 deg C @ 760.00mm Hg Freezing/Melting Point: -50 deg C Autoignition Temperature: 390 deg C ( 734.00 deg F) Flash Point: 93 deg C ( 199.40 deg F) Explosion Limits, lower: 2.40 vol % Explosion Limits, upper: 13.50 vol % Decomposition Temperature: Solubility in water: Miscible. Specific Gravity/Density: 1.0060g/cm3 Molecular Formula: C4H10O2 Molecular Weight: 90.12 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, excess heat, exposure to flame. Incompatibilities with Other Materials: Strong oxidizing agents, acid chlorides, acid anhydrides, strong reducing agents, chloroformates. 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# 26171-83-5 unlisted. LD50/LC50: Not available. Oral, rat: LD50 = 16 Carcinogenicity: 1,2-Butanediol - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Ecotoxicity: 1,2-Butanediol biodegrades in the atmosphere by reaction with photochemically produced hydroxyl radicals and is not expected to hydrolyze in the environment. Estimated BCF value = 0.35. This value suggests that this product will not bioconcentrate in aquatic organisms. Absorption to sediment and hydroysis are also not expected to be important fate processes in water systems. Estimated Koc value = 17. This value indicates that 1,2-butanediol has very high mobility in soil and is expected to volatilize if spilled on dry soil surfaces. 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 26171-83-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 26171-83-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 26171-83-5 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

毒理学数据: 对皮肤无刺激。大剂量对动物有麻醉和胃肠道刺激作用，并引起肾明显出血。大鼠经口LD50约16g/kg。

安全

• 安全声明 (欧洲): S24/25
• WGK德国: 2
• RTECS号: EK0380000

制备

1.由环氧丁烷水合而得。将0.1%硫酸水溶液加热至60℃，于1h内滴加1，2-环氧丁烷，在60-70℃保温反应0.5h，用40%液碱中和至pH7-7.5，减压蒸去水后，再经精馏，收集110℃（3.72kPa）馏分而得成品，收率80%以上

2.制法：

于装有搅拌器、温度计、滴液漏斗的反应瓶中，加入水1.3L，浓硫酸1.3ML，加热至60℃，慢慢滴加1,2-环氧丁烷(2)324g（378mL，45mL），约1h加完，而后于60～70℃搅拌反应1h。冷却，以40%的氢氧化钠溶液调至PH7～7.5，减压蒸馏除去水，得粗品1,2-丁二醇(1),总收率80%。