6376-59-6

• 常用中文名：2-氧代戊酸甲酯
• 常用英文名：Methyl 2-Oxovalerate
• CAS号：6376-59-6
• 分子式：C₆H₁₀O₃
• 分子量：130.14200
• 相关类别： 研究领域 其他
• 发布时间：2018-09-20 18:09:48
• 更新时间：2024-01-03 17:46:26
• 2-草酸甲酯是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。

名称

• 中文名: 2-氧代戊酸甲酯
• 英文名: Methyl 2-Oxovalerate
• 英文别名: methyl 2-oxopentanoate

物化性质

• 沸点: 62°C|12mmHg(lit.)
• 分子式: C₆H₁₀O₃
• 分子量: 130.14200
• 精确质量: 130.06300
• PSA: 43.37000
• LogP: 0.52860
• 外观性状: 极淡的黄色 -黄色透明液体
• 储存条件:

  避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：31.65

  2、 摩尔体积（m³/mol）：128.1

  3、 等张比容（90.2K）：300.6

  4、 表面张力（dyne/cm）：30.2

  5、 极化率（10 ^-24cm ³）：12.54

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.8

  2.氢键供体数量:0

  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:2

  6.拓扑分子极性表面积43.4

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:118

  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: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：未确定

  2. 密度（g/mL, 25 ℃ ）：1.03

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，12mmHg）：62

  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（20ºC）：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: 2-草酸甲酯是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。
• 相关类别:
  研究领域 >> 其他

MSDS

Methyl 2-Oxovalerate SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Methyl 2-Oxovalerate Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 4 Flammable liquids HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements None Pictograms or hazard symbols Signal wordWarning Combustible liquid Hazard statements Precautionary statements: Keep away from flames and hot surfaces. [Prevention] Wear protective gloves and eye/face protection. Store in a well-ventilated place. Keep cool. [Storage] [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:Methyl 2-Oxovalerate >90.0%(GC) Percent: CAS Number:6376-59-6 2-Oxovaleric Acid Methyl Ester , Methyl 2-Oxopentanoate , 2-Oxopentanoic Acid Synonyms: Methyl Ester Chemical Formula:C6H10O3 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Remove/Take off immediately all contaminated clothing. Rinse skin with Skin contact: water/shower. If skin irritation or rash occurs: Get medical advice/attention. Rinse cautiously with water for several minutes. Remove contact lenses, if present Eye contact: and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Methyl 2-Oxovalerate Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Unsuitable extinguishing Solid streams of water media: Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in hazards:case of a fire. Use spark-proof tools and explosion-proof equipment. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Keep away from flames and hot surfaces. Take measures to prevent the build up of electrostatic charge. Use explosion-proof equipment. Wash hands and face thoroughly after handling. Use a closed system, ventilation. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a refrigerator. Store away from incompatible materials such as oxidizing agents. Heat-sensitive Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Protective gloves. Hand protection: Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Form:Clear Very pale yellow - Yellow Colour: Odour:No data available pH: No data available Melting point/freezing point:No data available Boiling point/range:62°C/1.6kPa Flash point:No data available Methyl 2-Oxovalerate Section9. PHYSICAL AND CHEMICAL PROPERTIES Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:1.03 Solubility(ies): [Water]No data available No data available [Other solvents] Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Conditions to avoid:Open flame Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Methyl 2-Oxovalerate SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水少是稍微危害的，不要让未稀释或大量的产品接触地下水、水道或污水系统 若无政府许可，勿将材料排入周围环境.

安全

• 海关编码: 2918300090

合成路线

71385-54-1 ~97% 6376-59-6

文献：Shin; Yonezawa; Yamada Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 10 p. 3934 - 3944

95863-99-3 ~96% 6376-59-6

文献：Shin; Yonezawa; Yamada Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 10 p. 3934 - 3944

72015-58-8 ~% 6376-59-6

文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 10 p. 3934 - 3944

80465-31-2 ~% 6376-59-6

文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 10 p. 3934 - 3944

6395-79-5 ~% 6376-59-6

文献：Journal of the Chemical Society, Chemical Communications, , # 20 p. 1146 - 1147

85450-93-7 74-88-4 ~% 6376-59-6

文献：Synthesis, , # 1 p. 58 - 60

186581-53-3 1821-02-9 ~% 6376-59-6

文献：Helvetica Chimica Acta, , vol. 43, p. 1840 - 1844

海关

海关编码	2918300090
中文概述	2918300090 其他含醛基或酮基不含其他含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 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
Summary	2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%