3-Methylglutaric Acid 3-甲基戊二酸

CAS 626-51-7 MFCD00002727

化学结构图

626-51-7
SMILES: CC(CC(=O)O)CC(=O)O

化学属性

Mol. FormulaC6H10O4
Mol. Weight146.14
Melting Point81-86°C
TSCANo
Density1.422
Appearance 白色棱状结晶。熔点87℃。
Boiling Point332.7 °C at 760 mmHg

别名和识别编码

Chemical Name3-Methylglutaric Acid
MDL NumberMFCD00002727
CAS Number626-51-7
PubChem Substance ID12284
Beilstein Registry Number1759502
EC Number210-951-5
Synonym 3-Methylglutaric acid {LY} 3-Methylglutaric acid {} {LY} 3-Methylglutaric acid {} {} {LY} 3-Methylglutaric acid {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylglutaric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylglutari
Reaxys-RN1759502
Chemical Name Translation3-甲基戊二酸
LabNetwork Molecule IDLN01742957
InChIInChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
Canonical SMILESO=C(O)CC(C)CC(O)=O
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分类

  • {SNA} Building Blocks, C6, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • [2]. Dylan E Jones, et al. 3-Methylglutaric acid in energy metabolism. Clin Chim Acta. 2020 Mar;502:233-239.
  • [1]. Barich DH, et al. 3-Methylglutaric acid as a 13C solid-state NMR standard. Solid State Nucl Magn Reson. 2006 Oct;30(3-4):125-9.
  • [1]. Barich DH, et al. 3-Methylglutaric acid as a 13C solid-state NMR standard. Solid State Nucl Magn Reson. 2006 Oct;30(3-4):125-9.
  • [2]. Dylan E Jones, et al. 3-Methylglutaric acid in energy metabolism. Clin Chim Acta. 2020 Mar;502:233-239.

安全信息

GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
WGK Germany3
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Hazard Codes Xi
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 3-甲基戊二酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0330 3-甲基戊二酸 3-Methylglutaric Acid 5G 325元 2014/06/02 M0330 3-甲基戊二酸 3-Methylglutaric Acid 25G 896元 2010/06/21 126860250 3-甲基戊二酸 3-Methylglutaric acid 99% 25 GR 879元
  • 用途一:用于有机合成。
  • Alfa Aesar:3-甲基戊二酸,99% 3-Methylglutaric acid, 99%(626-51-7)
  • Acros Organics:3-Methylglutaric acid, 99%(626-51-7)
  • Sigma Aldrich:626-51-7(sigmaaldrich)
  • MOL 文件:626-51-7.mol
  • 上游原料:乙醇 --> 乙酸乙酯 --> 硫酸 --> 氧氯化硫 --> 石油醚 --> 硫酸钠 --> 氢氧化钾 --> 氯化钠 --> 苯 --> 氯化铵 --> 氢化钠 --> 丙二酸二乙酯 --> 溴化钠 --> 乙烯基乙酸 --> 2,4-二氰基-3-甲基戊二酰胺
  • 图谱信息:3-甲基戊二酸(626-51-7)红外图谱(IR1) 3-甲基戊二酸(626-51-7)红外图谱(IR3) 3-甲基戊二酸(626-51-7)核磁图( 13 CNMR) 3-甲基戊二酸(626-51-7)质谱(MS) 3-甲基戊二酸(626-51-7)红外图谱(IR2)
  • 方法一:将400g 2,4-二氰基-3-甲基戊二酰胺和1L浓盐酸温热溶解，加1L水稀释，回流8h。用氯化钠将溶液饱和，用乙醚提取，提取液用五氧化二磷干燥后蒸除乙醚，得238-240g粗品3-甲基戊二酸，收率68%。粗品可用10%盐酸重结晶得到纯品。
  • TCI Shanghai:3-甲基戊二酸 3-Methylglutaric Acid,>;99.0%(T)(626-51-7)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C6 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C6 - Carboxylic Acids
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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