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 {} {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
  • 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+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
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • 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
  • 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
  • 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


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