Isopropyl Acetoacetate 乙酰乙酸异丙酯

CAS 542-08-5 MFCD00043933

化学结构图

542-08-5
SMILES: CC(=O)CC(=O)OC(C)C

化学属性

Mol. FormulaC7H12O3
Mol. Weight144.17
Density0.988
Boiling Point95 °C at 52 760 mmHg
Refractive index1.4160 to 1.4200
Flash Point71°C(lit.)
SolubilitySlightly soluble in water
TSCAYes
Melting Point-27 °C

别名和识别编码

Chemical NameIsopropyl Acetoacetate
CAS Number542-08-5
Synonym Isopropyl 3-oxobutanoate {LY} Isopropyl 3-oxobutanoate {} {LY} Isopropyl 3-oxobutanoate {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {} {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {} {} {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl 3-oxobutanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopropyl 3-oxo
EC Number208-798-4
Beilstein Registry Number1757046
MDL NumberMFCD00043933
PubChem Substance ID68329
Reaxys-RN1757046
Merck Number14,5206
Chemical Name Translation乙酰乙酸异丙酯
LabNetwork Molecule IDLN00226850
InChIInChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
Canonical SMILESCC(CC(OC(C)C)=O)=O
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分类

  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; ester; ketone; 1fragment
  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Short: EINECS
  • Merck:14,5206 Beilstein: 3,IV,1535
  • Merck:14,5206
  • Short: III/35C1

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H227 Combustible liquid 可燃液体
  • 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
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
Signal word Warning
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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Risk Statements
  • R38 Irritating to skin 刺激皮肤
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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

  • Alfa Aesar:乙酰乙酸异丙酯,98% Isopropyl acetoacetate, 98%(542-08-5)
  • Sigma Aldrich:542-08-5(sigmaaldrich)
  • MOL 文件:542-08-5.mol
  • 乙酰乙酸异丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 A11907 乙酰乙酸异丙酯, 98% Isopropyl acetoacetate, 98% 50g 319元 2010/05/25 A11907 乙酰乙酸异丙酯, 98% Isopropyl acetoacetate, 98% 250g 1289元
  • 下游产品:(+/-)-4-(3-硝基苯基)-2,6-二甲基-1,4-二氢吡啶-3,5-二羧酸甲氧基乙基酯异丙酯 --> 异丙氧磷 --> 伊拉地平 --> 3-氨基巴豆酸异丙酯

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. Esters - Carbonyl Compounds
  6. C6 to C7 - Esters

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