3,3-Dimethyl-2-oxobutanoic acid 三甲基丙酮酸

CAS 815-17-8 MFCD00154352

化学结构图

815-17-8
SMILES: CC(C)(C)C(=O)C(=O)O

化学属性

Mol. FormulaC6H10O3
Mol. Weight130.14
TSCAYes
Refractive index1.4270 to 1.4320
Boiling Point182.4°C at 760 mmHg
Flash Point13 °C
Appearance 淡黄色液体或白色块状固体，室温17 ℃ 以上为液体,17 ℃ 以下凝结呈固体.PKa(25 ℃ ):5.01 沸点:760mmhg:189 ℃ 熔点15mmhg:80 ℃
Density1.06
Melting Point90.5°C

别名和识别编码

Chemical Name3,3-Dimethyl-2-oxobutanoic acid
CAS Number815-17-8
MDL NumberMFCD00154352
Synonym 3,3-Dimethyl-2-oxobutanoic acid {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {} {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3-Dimethyl-2-oxobutanoi
EC Number212-418-2
Reaxys-RN636025
Beilstein Registry Number3(4)1595
PubChem Substance ID13150
Chemical Name Translation三甲基丙酮酸
LabNetwork Molecule IDLN00225570
InChIInChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)
Canonical SMILESCC(C)(C(C(O)=O)=O)C
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分类

  • {SNA} Building Blocks, C3 to C6, C6, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Ketones, Organic Building Blocks

安全信息

Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
  • S36/37/39 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Packing GroupIII
UN Number 3261 3265 UN3265
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
  • R34 Causes burns 会导致灼伤
Signal word Danger
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P234 Keep only in original container. 只保留在原来的容器中。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/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。
  • 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。
  • P301+P330+P331
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Class8
GHS Symbol
WGK Germany3
Hazard Codes C
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Alfa Aesar:三甲基丙酮酸,ca60%aq.soln. Trimethylpyruvic acid, ca. 60% aq. soln.(815-17-8)
  • 方法一:其制备方法是将二氯频那酮加入反应釜，然后加水和一定量的碱液，在稀碱水溶液下加热水解，生成3，3-二甲基-2-羟基丁酸钠，然后滴加次氯酸钠溶液，在低温和催化剂存在下氧化，2-羟基被氧化成2-氧，氧化完成后，将催化剂过滤掉，所得滤液即3，3-二甲基丁酮酸钠，进一步酸化即得成品。
  • 三甲基丙酮酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D3609 3,3-二甲基-2-氧代丁酸 3,3-Dimethyl-2-oxobutyric Acid 5G 435元 2014/06/02 D3609 3,3-二甲基-2-氧代丁酸 3,3-Dimethyl-2-oxobutyric Acid 25G 1330元 2010/05/25 B25582 三甲基丙酮酸, ca 60% aq. soln. Trimethylpyruvic acid, ca. 60% aq. soln. 250g 613元
  • 用途一:3，3-二甲基丁酮酸是除草剂嗪草酮的中间体。
  • 下游产品:3-硫-4-氨基-6-叔丁基-1,2,4-三嗪-5-酮
  • MOL 文件:815-17-8.mol
  • 上游原料:次氯酸钠 --> 二氯频那酮
  • TCI Shanghai:三甲基丙酮酸 3,3-Dimethyl-2-oxobutyric Acid,>;94.0%(GC)(815-17-8)

系列性分类

  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. Ketones - Carbonyl Compounds
  6. C3 to C6 - Ketones

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