924-44-7

• 常用中文名：乙醛酸乙酯
• 常用英文名：Ethyl glyoxylate
• CAS号：924-44-7
• 分子式：C₄H₆O₃
• 分子量：102.089
• 相关类别： 化学试剂 有机试剂 脂肪醛（含缩醛，半缩醛）
• 发布时间：2018-08-25 20:43:18
• 更新时间：2024-01-02 12:55:09
• 【用途一】
  有机合成，手性药物的合成

名称

• 中文名: 乙醛酸乙酯
• 英文名: ethyl glyoxylate
• 中文别名: 甲酰基甲酸酸乙酯
• 英文别名: Acetic acid, oxo-, ethyl ester; Acetic acid, 2-oxo-, ethyl ester; Ethyl glyoxalate; Ethyl glyoxylate; MFCD00044009; EINECS 213-105-3; ethyl 2-oxoacetate

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 126.4±23.0 °C at 760 mmHg
• 分子式: C₄H₆O₃
• 分子量: 102.089
• 闪点: 41.7±19.8 °C
• 精确质量: 102.031693
• PSA: 43.37000
• LogP: 0.18
• 外观性状: 透明无色至略黄色溶液
• 蒸汽压: 11.7±0.2 mmHg at 25°C
• 折射率: 1.389
• 储存条件:

  常温 ，避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.4

  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:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积43.4

  7.重原子数量:7

  8.表面电荷:0

  9.复杂度:77

  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,15℃）：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）：110

  6. 折射率：1.475

  7. 闪点（ºC）：7

  8. 自燃点或引燃温度（ºC）：未确定

  9. 比旋光度（º）： 未确定

  10. 蒸气压（kPa,25ºC）：未确定

  11. 饱和蒸气压（kPa,60ºC）：未确定

  12. 燃烧热（KJ/mol）： 未确定

  13. 临界温度（ºC）：未确定

  14. 临界压力（KPa）：未确定

  15. 油水（辛醇/水）分配系数的对数值：未确定

  16. 爆炸上限（%,V/V）：未确定

  17. 爆炸下限（%,V/V）：未确定

  18. 溶解性：未确定

MSDS

Section I.Chemical Product and Company Identification Chemical Name Ethyl Glyoxylate Polymer form (47% in Toluene) Portland OR SynonymEthyl Oxoacetate Polymer form; Glyoxalic Acid Ethyl Ester Polymer form; Glyoxylic Acid Ethyl Ester Polymer form Chemical Formula(CH3CH2OCOCHO)n 924-44-7 CAS Number 108-88-3 (Toluene) Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data Ethyl Glyoxylate Polymer form (47% in Toluene)924-44-7ca. 47.0This compound is classified as (Toluene) ca. 53.0a possible mutagen. There is Rat LD50 (oral) 636 mg/kg 108-88-3 no acceptable exposure limit for Rabbit LD50 (dermal) 14100 µL/kg (Toluene) a mutagen.Rat LD50 (inhalation) 49 gm/m3/4H Section III. Hazards Identification Acute Health EffectsToxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death. Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Chronic Health EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Reproductive Effects. (Toluene) Rat TCLo Inhalation 800 mg/m3/6H, female 14-20 days of pregnancy TOXIC EFFECTS: Effects on Embryo or Fetus - Fetotoxicity Effects on Newborn - Behavioral Mouse TCLo Inhalation 400 ppm/7H, female 7-16 days of pregnancy TOXIC EFFECTS: Specific Developmental Abnormalities - Musculoskeletal system Effects on Newborn - Biochemical and metabolic MOUSE TDLo Oral 9 gm/kg, female 6-15 days of pregnancy TOXIC EFFECTS: Effects on Embryo or Fetus - Fetal death Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or many human organs. Section IV.First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention. Skin ContactIn case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately. InhalationIf the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not improve. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Continued on Next Page Ethyl Glyoxylate Polymer form (47% in Toluene) Section V.Fire and Explosion Data 535°C (995°F) (Toluene) FlammabilityFlammable.Auto-Ignition Flammable LimitsLOWER: 1.2% UPPER: 7% (Toluene) Flash Points7°C (44.6°F) 4°C (39.2°F) (Toluene) These products are toxic carbon oxides (CO, CO2). Combustion Products Fire HazardsNot available. Risks of explosion of the product in presence of mechanical impact: Not available. Explosion Hazards Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting MediaFlammable liquid. SMALL FIRE: Use DRY chemical powder. and Instructions LARGE FIRE: Use alcohol foam, water spray or fog. Consult with local fire authorities before attempting large scale fire-fighting operations. Section VI.Accidental Release Measures Spill CleanupFlammable material. Toxic material. Irritating material. Possibly mutagenic material. Air sensitive material. Keep away from heat. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY earth, sand or other Instructions non-combustible material. DO NOT get water inside container. DO NOT touch spilled material. Use water spray to reduce vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage FLAMMABLE. TOXIC. IRRITANT. POSSIBLE MUTAGEN. AIR SENSITIVE. STORE UNDER ARGON. Keep locked up. Handling and Storage Keep away from heat. Mechanical exhaust required. Avoid excessive heat and light. DO NOT ingest. Do not breathe Information gas/fumes/ vapor/spray. Wear suitable protective clothing. If ingested, seek medical advice immediately and show the container or the label. Treat symptomatically and supportively. Always store away from incompatible compounds such as oxidizing agents. Section VIII. Exposure Controls/Personal Protection Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective Engineering Controls threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location. Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid Personal Protection inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Exposure LimitsThis compound is classified as a possible mutagen. There is no acceptable exposure limit for a mutagen. Section IX. Physical and Chemical Properties Liquid. (Clear, light yellow.)Solubility Physical state @ 20°CNot available. 1.03 Specific Gravity 0.865 (Toluene) Molecular Weight(CH3CH2OCOCHO)nPartition CoefficientLOG Kow: 2.73 (Toluene) C7H8 = 92.14 (Toluene) Boiling Point110°C (230°F)Vapor Pressure3.8 kPa (@ 25°C) (Toluene) Melting Point-93°C (-135.4°F) (Toluene)Vapor Density3.1 (Air = 1) (Toluene) 1.48Not available. Refractive IndexVolatility 1.50 (Toluene) Critical TemperatureNot available.OdorCharacteristic. 0.778 cP (@ 0°C) (Toluene)Not available. ViscosityTaste Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityAvoid excessive heat and light. IncompatibilitiesReactive with oxidizing agents. Continued on Next Page Ethyl Glyoxylate Polymer form (47% in Toluene) Section XI.Toxicological Information RTECS NumberXS5250000 (Toluene) Eye Contact. Ingestion. Inhalation. Routes of Exposure Toxicity Data(Toluene) Rat LD50 (oral) 636 mg/kg Rabbit LD50 (dermal) 14100 µL/kg Rat LD50 (inhalation) 49 gm/m3/4H Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Reproductive Effects. (Toluene) Rat TCLo Inhalation 800 mg/m3/6H, female 14-20 days of pregnancy TOXIC EFFECTS: Effects on Embryo or Fetus - Fetotoxicity Effects on Newborn - Behavioral Mouse TCLo Inhalation 400 ppm/7H, female 7-16 days of pregnancy TOXIC EFFECTS: Specific Developmental Abnormalities - Musculoskeletal system Effects on Newborn - Biochemical and metabolic MOUSE TDLo Oral 9 gm/kg, female 6-15 days of pregnancy TOXIC EFFECTS: Effects on Embryo or Fetus - Fetal death Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or many human organs. Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death. Acute Toxic Effects Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Section XII.Ecological Information Not available. Ecotoxicity Environmental FateToluene is released into the atmosphere principally from the volatilization of petroleum fuels and toluene-based solvents and thinners and from motor vehicle exhaust. Toluene’s production and use as an intermediate in the production of benzoic acid, benzaldehyde, benzene, explosives, dyes and many other organic compounds may also result in its release to the environment through various waste streams. Toluene has been detected in emissions from volcanos, forest fires and crude oil. If released to air, a vapor pressure of 28.4 mm Hg at 25 deg C indicates toluene will exist solely as a vapor in the ambient atmosphere. Vapor-phase toluene will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 3 days. Toluene may also be degraded in the atmosphere by reaction with nitrate radicals and ozone molecules, but these reactions are too slow to be environmentally important. If released to soil, toluene is expected to have high to moderate mobility based upon Koc values in the range of 37-178. Volatilization from moist soil surfaces is expected to be an important fate process based upon a Henry’s Law constant of 6.64X10-3 atm-cu m/mole. Toluene may volatilize from dry soil surfaces based upon its vapor pressure. Biodegradation is expected to occur rapidly in soil surfaces, with half-lives in the range of several hours to 71 days. If released into water, toluene is not expected to adsorb to suspended solids and sediment based upon a Koc of 166 measured in lake sediment. Biodegradation is expected to occur rapidly in water, with reported half-lives of and 56 days in aerobic and anaerobic water, respectively. Volatilization from water surfaces is expected to be an important fate process based upon this compound’s Henry’s Law constant. Estimated volatilization half-lives for a model river and model lake are 1 hour and 4 days, respectively. Measured BCF values of 13 and 90 in fish suggest bioconcentration in aquatic organisms is low to moderate. Hydrolysis is not expected to be an important environmental fate process for toluene due to lack of hydrolyzable functional groups. Exposure to toluene may occur occupationally during its production or subsequent use, particularly as a solvent or in gasoline, via dermal and respiratory routes. The main route of exposure for the general population will be through inhalation from contaminated air and handling of gasoline as well as ingestion of contaminated drinking water and food, and exposure to some consumer products. Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a Waste Disposal combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section XIV. Transport Information DOT CLASS 3: Flammable liquid DOT Classification PIN Number Proper Shipping NameToluene, solution Packing Group (PG)II DOT Pictograms Continued on Next Page Ethyl Glyoxylate Polymer form (47% in Toluene) Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list. (EPA) WHMIS ClassificationCLASS B-2: Flammable liquid with a flash point lower than 37.8°C (100°F). CLASS D-1B: Material causing immediate and serious toxic effects (TOXIC). (Canada) On NDSL. On DSL. (Toluene) EINECS Number (EEC)213-105-3 203-625-9 (Toluene) EEC Risk StatementsR11- Highly flammable. R18- In use, may form flammable/explosive vapor-air mixture. R23/24/25- Toxic by inhalation, in contact with skin and if swallowed. R36/37/38- Irritating to eyes, respiratory system and skin. R46- May cause heritable genetic damage. R47- May cause birth defects. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): F:Flammable;Xn:Harmful;
• 风险声明 (欧洲): R11;R38;R43;R48/20;R63;R65;R67
• 安全声明 (欧洲): S36/37-S62
• 危险品运输编码: UN 1294 3/PG 2
• WGK德国: 3
• 包装等级: II
• 危险类别: 3

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