Cyclooctanone 环辛酮

CAS 502-49-8 MFCD00001754

化学结构图

502-49-8
SMILES: O=C1CCCCCCC1

化学属性

Mol. FormulaC8H14O
Mol. Weight126.20
Density0.958
Flash Point73°C
TSCAYes
Melting Point32-41°C
Boiling Point193.2°C at 760 mmHg

别名和识别编码

Chemical NameCyclooctanone
Synonym Cyclooctanone {LY} Cyclooctanone cyclooctanone {} {LY} Cyclooctanone {} {} {LY} Cyclooctanone {} {} {} {LY} Cyclooctanone {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclooctanone {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00001754
CAS Number502-49-8
EC Number207-940-2
Beilstein Registry Number1280738
PubChem Substance ID10403
Reaxys-RN1280738
Chemical Name Translation环辛酮
InChIKeyIIRFCWANHMSDCG-UHFFFAOYSA-N
Wiswesser Line NotationL8VTJ
LabNetwork Molecule IDLN00223848
InChIInChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
Canonical SMILESO=C1CCCCCCC1
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; large ring; 8ring; ketone; 1fragment
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Beilstein:7,21
  • Short: III/35E
  • Short: II/14a
  • Short: III/38B

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
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；
  • S36/37/39 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）；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R34 Causes burns 会导致灼伤
Precautionary statements
  • 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。
  • 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。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P301+P317
  • P301+P330+P331
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P302+P361+P354
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P317
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSGX9800000
Packing GroupIII
UN Number 1759 UN1759
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • 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, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes 8 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 740 mg/kg
TOXIC EFFECTS :
   Behavioral - excitement
   Behavioral - coma
   Cardiac - arrhythmias (including changes in conduction)
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 254,2245,1962

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

  • 图谱信息:环辛酮(502-49-8)质谱(MS) 环辛酮(502-49-8)核磁图( 1 HNMR) 环辛酮(502-49-8)核磁图( 13 CNMR) 环辛酮(502-49-8)红外图谱(IR2) 环辛酮(502-49-8)红外图谱(IR1)
  • 检测方法:GC
  • TCI Shanghai:环辛酮 Cyclooctanone,>;97.0%(GC)(502-49-8)
  • Alfa Aesar:环辛酮,97% Cyclooctanone, 98%(502-49-8)
  • 外观性质:白色晶状固体。水中溶解度:15g/L (20°C)，溶于乙醇、丙酮和苯。密度:0.958 熔点:32-44 °C 沸点:195-197 °C 闪点:74 °C
  • Acros Organics:环辛酮 Cyclooctanone, 98%(502-49-8)
  • 环辛酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0504 环辛酮 Cyclooctanone 10G 215元 2014/06/02 C0504 环辛酮 Cyclooctanone 25G 448元 2010/06/21 111445000 环辛酮 Cyclooctanone 98% 500 GR 3766元
  • MOL 文件:502-49-8.mol
  • 用途一:有机合成、医药合成中间体，可用于合成抗精神分分裂药物Blonanserin（布隆色林/布南色林）
  • Sigma Aldrich:502-49-8(sigmaaldrich)
  • 上游原料:氢氧化钠 --> 甲醇 --> 硫酸 --> 氢化钠 --> 对二甲苯 --> 壬二酸
  • 白色晶状。水中溶解度:15g/L (20°C)，溶于乙醇、丙酮和苯。

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  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. C7 to C8 - 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. C3 to C6

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