1501-06-0

• 常用中文名：乙酰戊二酸二乙酯
• 常用英文名：Pentanedioic acid,2-acetyl-, 1,5-diethyl ester
• CAS号：1501-06-0
• 分子式：C₁₁H₁₈O₅
• 分子量：230.25800
• 相关类别： 化学试剂 有机试剂 酯类 乙酯类化合物
• 发布时间：2018-03-20 08:00:00
• 更新时间：2024-01-03 20:08:58
• 下载msds

名称

• 中文名: 乙酰戊二酸二乙酯
• 英文名: diethyl 2-acetylglutarate
• 英文别名: diethyl 2-acetylpentanedioate; EINECS 216-114-0; Diethyl 2-acetylglutarate; MFCD00009158

物化性质

• 密度: 1.071 g/mL at 25 °C(lit.)
• 沸点: 154 °C11 mm Hg(lit.)
• 分子式: C₁₁H₁₈O₅
• 分子量: 230.25800
• 闪点: >230 °F
• 精确质量: 230.11500
• PSA: 69.67000
• LogP: 1.09800
• 外观性状: 透明无色至淡黄色液体
• 蒸汽压: 0.00198mmHg at 25°C
• 折射率: n20/D 1.439(lit.)
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

• 分子结构:

  1、 摩尔折射率：51.91

  2、 摩尔体积（m³/mol）：198.0

  3、 等张比容（90.2K）：481.9

  4、 表面张力（dyne/cm）: 35.0

  5、 介电常数：无可用

  6、 偶极距（10 ^-24cm ³）：无可用

  7、 极化率：20.58

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.9

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:9

  5.互变异构体数量:5

  6.拓扑分子极性表面积69.7

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:259

  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:1

  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：无色液体。

  2. 密度（g/mL,25/4℃）： 1.071

  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）：154

  6. 沸点（ºC,5.2kPa）： 未确定

  7. 折射率： 1.439

  8. 闪点（ºC）： 113

  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：不溶于水。

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: Diethyl 2-acetylglutarate CAS-No.: 1501-06-0 Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008 This substance is not classified as dangerous according to Directive 67/548/EEC. Label elements The product does not need to be labelled in accordance with EC directives or respective national laws. Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Formula: C11H18O5 Molecular Weight: 230,26 g/mol Section4. FIRST AID MEASURES Description of first aid measures If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. In case of skin contact Wash off with soap and plenty of water. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Most important symptoms and effects, both acute and delayed Indication of any immediate medical attention and special treatment needed no data available Section5. FIREFIGHTING MEASURES Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Avoid breathing vapors, mist or gas. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Normal measures for preventive fire protection. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Specific end uses no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls General industrial hygiene practice. Personal protective equipment Eye/face protection Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection impervious clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK (EU EN 14387) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: liquid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and 154 °C at 15 hPa - lit. boiling range g) Flash point> 113,00 °C - closed cup h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density1,071 g/mL at 25 °C n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Autoignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials acids, Bases, Oxidizing agents, Reducing agents Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. May cause respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. May cause skin irritation. EyesMay cause eye irritation. Additional Information RTECS: Not available Section12. ECOLOGICAL INFORMATION Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available Section15. REGULATORY INFORMATION This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常来说对水是无害的，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
• 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: 2918300090

合成路线

141-97-9 140-88-5 ~80% 1501-06-0

文献：Muthusamy, Sengodagounder; Babu, Srinivasarao Arulananda; Gunanathan, Chidambaram Synthetic Communications, 2002 , vol. 32, # 21 p. 3247 - 3254

141-97-9 ~81% 1501-06-0

文献：Sizov, A. Yu.; Dombrovskii, V. A.; Yanovskaya, L. A. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1991 , vol. 40, # 5.1 p. 955 - 961 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1991 , # 5 p. 1073 - 1079

539-74-2 141-97-9 ~% 1501-06-0

文献：Chemische Berichte, , vol. 24, p. 282

623-71-2 1007476-32-5 ~% 1501-06-0

文献：Journal of the American Chemical Society, , vol. 74, p. 1318,1320

6414-69-3 141-97-9 ~% 1501-06-0

文献：Justus Liebigs Annalen der Chemie, , vol. 192, p. 128 Journal of the Chemical Society, , vol. 91, p. 1740

623-71-2 141-97-9 ~% 1501-06-0 72948-75-5

文献：Journal of the Chemical Society, , p. 2626

1007476-32-5 140-88-5 ~% 1501-06-0

文献：Justus Liebigs Annalen der Chemie, vol. 294, p. 317

917-64-6 60-29-7 857820-05-4 ~% 1501-06-0

文献：Journal of the Chemical Society, , p. 2626

141-52-6 623-71-2 141-97-9 ~% 1501-06-0

文献：Journal of the Chemical Society, , p. 2626

上下游产品

上游产品  10
141-97-9 140-88-5 539-74-2 623-71-2
1007476-32-5 6414-69-3 917-64-6 60-29-7
857820-05-4 141-52-6
下游产品  10
55170-74-6 20266-62-0 22814-29-5 2211-15-6
110-94-1 64-19-7 823-22-3 818-38-2
132623-16-6 111-29-5

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%