2280-27-5

• 常用中文名：(S)-(+)-2-氨基-3-羟基-3-甲基丁酸
• 常用英文名：(S)-(+)-2-Amino-3-hydroxy-3-methylbutanoic acid
• CAS号：2280-27-5
• 分子式：C₅H₁₁NO₃
• 分子量：133.146
• 相关类别： 生物化工 氨基酸及其衍生物 α-氨基酸
• 发布时间：2018-12-24 17:15:03
• 更新时间：2024-01-02 10:16:31

名称

• 中文名: (S)-(+)-2-氨基-3-羟基-3-甲基丁酸
• 英文名: (S)-(+)-2-Amino-3-hydroxy-3-methylbutanoic acid
• 中文别名: (S)-2-氨基-3-羟基-3-甲基丁酸; L(+)-beta-羟基缬氨酸; L-BATE-羟基缬氨酸
• 英文别名: MFCD00800535; 3-Hydroxy-L-valine; l-hydroxyvaline; 4-Methyl-L-threonine; L-Valine, N-hydroxy-; L-Threonine, 3-methyl-; (S)-2-Amino-3-Hydroxy-3-Methylbutanoic Acid; 2-amino-3-hydroxy-3-methylbutanoic acid; N-Hydroxy-L-valine

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 284.5±42.0 °C at 760 mmHg
• 熔点: 201 - 203ºC(decom)
• 分子式: C₅H₁₁NO₃
• 分子量: 133.146
• 闪点: 125.9±27.9 °C
• 精确质量: 133.073898
• PSA: 83.55000
• LogP: 0.39
• 外观性状: 白色粉末
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.476
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。避免阳光直射。

• 稳定性:

  避免与不相容材料，湿空气，水接触。

  与强氧化剂反应。

• 水溶解性: SOLUBLE
• 计算化学:

  1、 疏水参数计算参考值（XlogP）：-2.8

  2、 氢键供体数量：3

  3、 氢键受体数量：4

  4、 可旋转化学键数量：2

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：83.6

  7、 重原子数量：9

  8、 表面电荷：0

  9、 复杂度：121

  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：白色粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：201-203

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,0.2mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：-11.75

  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：易溶于水

MSDS

Name: (S)-(+)-2-Amino-3-hydroxy-3-methylbutanoic acid Material Safety Data Sheet Synonym: L-(+)-Hydroxyvaline CAS: 2280-27-5 Section 1 - Chemical Product MSDS Name:(S)-(+)-2-Amino-3-hydroxy-3-methylbutanoic acid Material Safety Data Sheet Synonym:L-(+)-Hydroxyvaline Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2280-27-5 3-Hydroxy-L-valine 98 unlisted 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. The toxicological properties of this material have not been fully investigated. Skin: May cause skin irritation. The toxicological properties of this material have not been fully investigated. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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 immediately. 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: 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: 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or appropriate 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. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid breathing dust. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 2280-27-5: 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: 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: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 201-203 deg C (dec) Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: 201-203 deg C Solubility in water: Specific Gravity/Density: Molecular Formula: C5H11NO3 Molecular Weight: 133.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stability unknown. Conditions to Avoid: Dust generation, moisture, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2280-27-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Hydroxy-L-valine - 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# 2280-27-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2280-27-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2280-27-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 安全声明 (欧洲): S24/25
• 海关编码: 2922509090

合成路线

75-86-5 ~% 2280-27-5

文献：US4486600 A1, ;

120-57-0 96293-17-3 56-40-6 ~% 2280-27-5 详细

文献：Journal of the American Chemical Society, , vol. 107, # 14 p. 4252 - 4259

96293-17-3 67-64-1 56-40-6 ~% 2280-27-5 详细

文献：Journal of the American Chemical Society, , vol. 107, # 14 p. 4252 - 4259

52-67-5 ~% 2280-27-5

文献：Canadian Journal of Chemistry, , vol. 47, p. 1029 - 1036

102507-13-1 ~% 2280-27-5

文献：Nature Chemistry, , vol. 2, # 4 p. 280 - 285

20902-45-8 ~% 2280-27-5

文献：Canadian Journal of Chemistry, , vol. 47, p. 1029 - 1036

上下游产品

上游产品  8
75-86-5 120-57-0 96293-17-3 56-40-6
67-64-1 52-67-5 102507-13-1 20902-45-8
下游产品  3
72-18-4 102507-13-1 56-40-6

海关

海关编码	2922509090
中文概述	2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件：AB. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
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
Summary	2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%