454-41-1

• 常用中文名：DL-蛋氨酸亚砜
• 常用英文名：Butanoic acid, 2-amino-4-(methylsulfinyl)-
• CAS号：454-41-1
• 分子式：C₅H₁₁NO₃S
• 分子量：165.21100
• 相关类别： 生物化工 氨基酸及其衍生物 蛋氨酸类衍生物
• 发布时间：2018-02-28 08:00:00
• 更新时间：2024-01-03 17:32:23

名称

• 中文名: DL-蛋氨酸亚砜
• 英文名: DL-Methionine sulfoxide
• 英文别名: METHIONINE SULFOXIDE,DL; DL-METHIONINE-DL-SULFOXIDE; EINECS 263-700-7; METHIONINESULPHOXIDE; H-DL-MET(O)-OH; MFCD00002620; (S)-Methionin-(S)-sulfoxid; methionine (S)-sulfoxide; DL-METHIONINE SULPHOXIDE

物化性质

• 熔点: -240ºC (dec.)
• 分子式: C₅H₁₁NO₃S
• 分子量: 165.21100
• 精确质量: 165.04600
• PSA: 99.60000
• LogP: 0.73290
• 外观性状: 白色或灰白色结晶粉末
• 储存条件:

  密封保存，放置于通风、干燥地方，避免于其他氧化物接触。

• 稳定性:

  1. 按规格使用和贮存，不会发生分解，避免与氧化物接触。

  2.存在于烤烟烟叶中。

• 分子结构:

  1、 摩尔折射率：39.13

  2、 摩尔体积（cm³/mol）：119.2

  3、 等张比容（90.2K）：350.2

  4、 表面张力（dyne/cm）：74.3

  5、 极化率（10^-24cm³）：15.51

• 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:5

  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99.6

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:148

  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:2

  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：未确定

  2. 密度（g/ m³,25/4℃）：未确定

  3. 相对蒸汽密度（g/cm³,空气=1）：未确定

  4. 熔点（ºC）：240

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：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

MSDS

Name: DL-Methionine Sulfoxide 99% Material Safety Data Sheet Synonym: 2-Amino-4-(Methylsulfinyl)butyric Acid; Methionine Sulfoxide CAS: 454-41-1 Section 1 - Chemical Product MSDS Name:DL-Methionine Sulfoxide 99% Material Safety Data Sheet Synonym:2-Amino-4-(Methylsulfinyl)butyric Acid; Methionine Sulfoxide Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 454-41-1 DL-Methionine Sulfoxide 99 207-225-5 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: Adverse reproductive effects have been reported in animals. 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. Extinguishing Media: Use agent most appropriate to extinguish fire. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: 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 ventilation to keep airborne concentrations low. Exposure Limits CAS# 454-41-1: 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: Powder Color: white Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 232.00 - 234.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C5H11NO3S Molecular Weight: 165.21 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen sulfide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 454-41-1: ES7120000 LD50/LC50: Not available. Carcinogenicity: DL-Methionine Sulfoxide - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 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. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 454-41-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 454-41-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 454-41-1 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: 1、急性毒性：小鼠经腹腔LD50：4gm/kg，除致死剂量外无详细说明； 2、生殖毒性：小鼠DOSE经腹腔TDLo：雌性怀孕9-15天后：3500 mg/kgSEX/DURATION，后代肌肉骨骼系统发育异常 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。 CHEMICAL IDENTIFICATION RTECS NUMBER : ES7120000 CHEMICAL NAME : Butyric acid, 2-amino-4-(methylsulfinyl)- CAS REGISTRY NUMBER : 454-41-1 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C5-H11-N-O3-S MOLECULAR WEIGHT : 165.23 WISWESSER LINE NOTATION : QVYZ2SO&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 4 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IJRBA3 International Journal of Radiation Biology and Related Studies in Physics, Chemistry and Medicine. (Taylor & Francis Inc., 242 Cherry St., Philadelphia, PA 19106) V.1- 1959- Volume(issue)/page/year: 3,41,1961 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 3500 mg/kg SEX/DURATION : female 9-15 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system REFERENCE : ASMUAA Acta Scholae Medicinalis Universitatis in Kioto. (Kyoto, Japan) V.27-40, 1947-70. Discontinued. Volume(issue)/page/year: 38,193,1962

安全

• 危害码 (欧洲): Xn
• WGK德国: 3
• RTECS号: ES7120000

制备

1. 烟草：FC，51。