39994-75-7

• 常用中文名：L-苏氨酸甲酯盐酸盐
• 常用英文名：H-Thr-OMe.HCl
• CAS号：39994-75-7
• 分子式：C₅H₁₂ClNO₃
• 分子量：169.607
• 相关类别： 生物化工 氨基酸及其衍生物 苏氨酸类衍生物
• 发布时间：2018-04-13 08:00:00
• 更新时间：2024-01-02 11:30:50
• H-Thr-OMe公司。HCl是苏氨酸衍生物[1]。

名称

• 中文名: L-苏氨酸甲酯盐酸盐
• 英文名: Methyl L-threoninate hydrochloride
• 中文别名: H-苏氨酸-OME盐酸盐
• 英文别名: EINECS 254-738-5; Methyl L-threoninate hydrochloride (1:1); methyl (2S,3R)-2-amino-3-hydroxybutanoate,hydrochloride; L-Threonine, methyl ester, hydrochloride (1:1); L-Threonine methyl ester hydrochloride; MFCD00037677; AZTREONAM INTERMEDIATES; H-THR-OME·HCL; H-Thr-OMe.HCl

物化性质

• 沸点: 274.4ºC at 760 mmHg
• 熔点: 64 °C
• 分子式: C₅H₁₂ClNO₃
• 分子量: 169.607
• 闪点: 119.8ºC
• 精确质量: 169.050568
• PSA: 72.55000
• LogP: 0.36980
• 外观性状: 透明至淡黄色液体
• 储存条件:

  密封、阴凉、干燥保存

• 稳定性:

  常规情况下不会分解，没有危险反应

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：-1

  2、 氢键供体数量：2

  3、 氢键受体数量：3

  4、 可旋转化学键数量：3

  5、 拓扑分子极性表面积（TPSA）：74.2

  6、 重原子数量：9

  7、 表面电荷：1

  8、 复杂度：104

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：2

  11、 不确定原子立构中心数量：0

  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：未确定

  2. 密度（g/mL,20ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：60

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，15mm hg）：未确定

  7. 折射率：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,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）： 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

生物活性

• 描述: H-Thr-OMe公司。HCl是苏氨酸衍生物[1]。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 体外研究: 氨基酸和氨基酸衍生物已被商业化用作能量补充剂。它们影响合成代谢激素的分泌、运动期间的燃料供应、压力相关任务期间的精神表现,并防止运动引起的肌肉损伤。它们被认为是有益的能生膳食物质[1]。
• 参考文献:

  [1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.

MSDS

Name: l-Threonine methyl ester hydrochloride Material Safety Data Sheet Synonym: CAS: 39994-75-7 Section 1 - Chemical Product MSDS Name:l-Threonine methyl ester hydrochloride Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 39994-75-7 L-Threonine methyl ester hydrochloride 254-738-5 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. 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: May cause 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. 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: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a tightly closed container. Store in a dry area. Deep freeze (below -20C). Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 39994-75-7: 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: Powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 64 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: Specific Gravity/Density: Molecular Formula: C5H11NO3.HCl Molecular Weight: 169.61 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. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 39994-75-7 unlisted. LD50/LC50: Not available. Carcinogenicity: L-Threonine methyl ester hydrochloride - 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 No information available. IMO No information available. RID/ADR No information available. 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# 39994-75-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 39994-75-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 39994-75-7 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

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 29225000

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