53651-69-7

• 常用中文名：乳酸丙酯
• 常用英文名：Propyl (S)-2-hydroxypropanoate
• CAS号：53651-69-7
• 分子式：C₆H₁₂O₃
• 分子量：132.158
• 相关类别： 化学试剂 有机试剂 酯类 丙酯类化合物
• 发布时间：2018-08-03 19:36:21
• 更新时间：2024-01-11 19:30:39

• 是优质的环保型高沸点溶剂，应用于油墨、涂料、香料和精细化学品的合成。

名称

• 中文名: (S)-(-)-乳酸丙酯
• 英文名: (S)-Propyl 2-hydroxypropanoate
• 英文别名: Propyl (2S)-2-hydroxypropanoate; Propyl (S)-2-hydroxypropanoate; Propyl (S)-(-)-lactate; QY1&VO3 &&(S)-(-)- Form; Propanoic acid, 2-hydroxy-, propyl ester, (2S)-; MFCD06658964

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 174.2±8.0 °C at 760 mmHg
• 熔点: -14ºC
• 分子式: C₆H₁₂O₃
• 分子量: 132.158
• 闪点: 62.7±6.4 °C
• 精确质量: 132.078644
• PSA: 46.53000
• LogP: 0.34
• 外观性状: 透明无色液体
• 蒸汽压: 0.4±0.7 mmHg at 25°C
• 折射率: 1.427
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：33.11

  2、 摩尔体积（cm³/mol）：128.9

  3、 等张比容（90.2K）：309.7

  4、 表面张力（dyne/cm）：33.2

  5、 极化率（10^-24cm³）：13.12

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.8

  2.氢键供体数量:1

  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46.5

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:90.3

  10.同位素原子数量:0

  11.确定原子立构中心数量:1

  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: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：无色液体。

  2. 相对密度（20℃，4℃）：1.0035

  3. 相对密度（25℃，4℃）：0.9815⁴⁰

  4. 熔点（ºC）：-40

  5. 沸点（ºC,常压）：169. 沸点（ºC,5.2kPa）：无可用

  7. 常温折射率（n²⁵）：1.4087⁴⁰

  8. 闪点（ºC）：69

  9. 常温折射率（n²⁰）：1.4172

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: Propyl (S)-(-)-lactate Material Safety Data Sheet Synonym: CAS: 53651-69-7 Section 1 - Chemical Product MSDS Name:Propyl (S)-(-)-lactate Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 53651-69-7 Propyl (S)-(-)-lactate unlisted Hazard Symbols: XI Risk Phrases: 37 41 66 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to respiratory system. Risk of serious damage to eyes. Repeated exposure may cause skin dryness or cracking. Potential Health Effects Eye: Risk of serious damage to eyes. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Ingestion: Get medical aid. 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. 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Keep under a nitrogen blanket. 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# 53651-69-7: Personal Protective Equipment Eyes: Not available. 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: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: 1.1mbar @20 deg C Viscosity: 3.3 mPa.s @20 deg C Boiling Point: 170 deg C Freezing/Melting Point: -14 deg C Autoignition Temperature: 390 deg C ( 734.00 deg F) Flash Point: 69 deg C ( 156.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: >170 deg C Solubility in water: completely miscible Specific Gravity/Density: 1.000 Molecular Formula: C6H12O3 Molecular Weight: 132.16 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acids, bases, water. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 53651-69-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Propyl (S)-(-)-lactate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Ecotoxicity: Log Pow: 0.51 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 37 Irritating to respiratory system. R 41 Risk of serious damage to eyes. R 66 Repeated exposure may cause skin dryness or cracking. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 39 Wear eye/face protection. WGK (Water Danger/Protection) CAS# 53651-69-7: No information available. Canada CAS# 53651-69-7 is listed on Canada's NDSL List. CAS# 53651-69-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 53651-69-7 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R66
• 安全声明 (欧洲): 39-26
• 海关编码: 2918110000

合成路线

20279-43-0 ~% 53651-69-7 616-09-1

文献：Tetrahedron Asymmetry, , vol. 4, # 10 p. 2219 - 2228

上下游产品

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制备

由类似于糖的碳水化合物发酵生产的L(+)乳酸和正丙醇酯化而成

海关

海关编码	2918110000
中文概述	2918110000. 乳酸及其盐和酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2918110000. lactic acid, its salts and esters. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%