1,4-Cyclohexanedione 1,4-环已二酮

CAS 637-88-7 MFCD00001606

化学结构图

637-88-7
SMILES: O=C1CCC(=O)CC1

化学属性

Mol. FormulaC6H8O2
Mol. Weight112.13
Density1.127
Flash Point132°(269°F)
TSCAYes
Boiling Point226.6°C at 760 mmHg
Melting Point77-78.5°C
Appearance 无色结晶

别名和识别编码

Chemical Name1,4-Cyclohexanedione
CAS Number637-88-7
Alfabeta NameCYCLOHEXANEDIONE 14-,
MDL NumberMFCD00001606
Synonym 1,4-Cyclohexanedione {LY} 1,4-Cyclohexanedione {} {LY} 1,4-Cyclohexanedione {} {} {LY} 1,4-Cyclohexanedione {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Cyclohexanedione {} {} {} {} {} {} {} {} {} {} {}
EC Number211-306-0
Beilstein Registry Number7,556
PubChem Substance ID12511
Reaxys-RN774152
Chemical Name Translation1,4-环已二酮
InChIKeyDCZFGQYXRKMVFG-UHFFFAOYSA-N
LabNetwork Molecule IDLN00173371
InChIInChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
Canonical SMILESO=C1CCC(=O)CC1
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分类

  • {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ketone; 1fragment

产品应用

  • 分析试剂、医药，液晶中间体。

相关文献及参考

  • Beilstein:7,556
  • Short: IV/1a
  • Short: III/5a
  • Short: III/38B

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
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
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
  • P304+P340
  • P305+P351+P338
  • 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.....
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes Xi
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

其他信息

  • MSDS 信息:1,4-Cyclohexanedione(637-88-7).msds
  • 上游原料:稀硫酸 --> 丁二酸二乙酯 --> 丁二酰丁二酸二乙酯
  • Hazard Note:Irritant
  • MOL 文件:637-88-7.mol
  • 图谱信息:1,4-环己二酮(637-88-7)质谱(MS) 1,4-环己二酮(637-88-7)核磁图( 13 CNMR) 1,4-环己二酮(637-88-7)核磁图( 1 HNMR) 1,4-环己二酮(637-88-7)红外图谱(IR1) 1,4-环己二酮(637-88-7)红外图谱(IR2)
  • F:8
  • 海关编码:29142900
  • 用途三:分析试剂、医药，液晶中间体。
  • 用途二:本品用于有机合成，医药、电导体材料等的合成。也是通用试剂。
  • Acros Organics:1,4-环已二酮 1,4-Cyclohexanedione, 98%(637-88-7)
  • 溶于水，溶于甲醇和乙醇。
  • TCI Shanghai:1,4-环己二酮 1,4-Cyclohexanedione,>;98.0%(GC)(637-88-7)
  • 1,4-环己二酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0730 1,4-环己二酮 1,4-Cyclohexanedione 500G 4910元 2014/06/02 C0730 1,4-环己二酮 1,4-Cyclohexanedione 25G 487元 2010/06/21 154830500 1,4-环己二酮 1,4-Cyclohexanedione 98% 50 GR 983元
  • Sigma Aldrich:637-88-7(sigmaaldrich)
  • Alfa Aesar:1,4-环己二酮,98% 1,4-Cyclohexanedione, 98%(637-88-7)
  • 用途一:用于制药、合成电导体材料等
  • 下游产品:并五苯 --> 反式-1,4-环己二胺 --> 2,5-二羟基苯基乙酸GAMMA内酯 --> 反式对氨基环己醇
  • 方法一:向反应釜中加入配制好的乙醇钠，再加入乙醚及丁二酸二乙酯，于水溶回流3天，回收乙醚；然后冷至室温，加入10%的稀硫酸调至pH＝2，将结晶滤出，用水洗后，干燥得丁二酰丁二酸二乙酯粗品；将粗品用乙醇重结晶（熔点127-129℃）而得纯品。再将丁二酰丁二酸二乙酯放回烧瓶内，加入浓硫酸、水、乙醇的混合物，在油溶回流5天，冷却，用氨水中和至pH＝8；再用氯仿提取4次，回收氯仿即得粗品；然后将粗品进行减压蒸馏，将馏出物倒入冷的石油醚中，过滤，晾干，即为1,4-环己二酮产品。

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. Ketones - 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. Ketones - Carbonyl Compounds
  6. C3 to C6 - Ketones
  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 酮
  6. C15 to C38