3-Methylcyclohexanone 3-甲基环己酮

CAS 591-24-2 MFCD00001639

化学结构图

591-24-2
SMILES: CC1CCCC(=O)C1

化学属性

Mol. FormulaC7H12O
Mol. Weight112.17
Refractive index1.4440 to 1.4480
Boiling Point169-170°C at 760 mmHg
Density0.914 g/mL at 25 °C(lit.)
Flash Point48°C
Melting Point-73 °C
pH:A

别名和识别编码

Chemical Name3-Methylcyclohexanone
Synonym 3-Methylcyclohexanone {LY} 3-Methylcyclohexanone {} {LY} 3-Methylcyclohexanone {} {} {LY} 3-Methylcyclohexanone {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylcyclohexanone {} {} {} {} {} {} {} {} {
CAS Number591-24-2
PubChem Substance ID11567
EC Number209-710-7
Beilstein Registry Number7,15
MDL NumberMFCD00001639
Reaxys-RN969804
Chemical Name Translation3-甲基环己酮
LabNetwork Molecule IDLN00241393
InChIInChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
Canonical SMILESO=C1CC(C)CCC1
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, M-N
  • Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ketone; racemate; 1fragment

相关文献及参考

  • Short: II/27B
  • Beilstein:7,15
  • Short: II/19b

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSGW1750100
Signal word Warning {} {} {} {} {} {} {} {} {TCI}
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • 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
  • R10 Flammable 易燃
  • 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
  • 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
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • 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。
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
  • P403+P233
  • P301+P310+P331
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P304+P340
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P304+P340+P312
  • 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。
  • 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。
  • P305+P351+P338+P337+P313
UN Number UN 2297 3/PG 3 2297
Packing GroupIII
Hazard Codes Xn
Hazard Class3
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 310 mg/kg
TOXIC EFFECTS :
   Cardiac - change in rate
   Vascular - BP lowering not characterized in autonomic section
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: 236,633,1953

其他信息

  • Acros Organics:3-Methylcyclohexanone, 97%(591-24-2)
  • TCI Shanghai:3-甲基环己酮 3-Methylcyclohexanone,>;97.0%(GC)(591-24-2)
  • FEMA:3947
  • 不溶于水。
  • 3-甲基环己酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0198 3-甲基环己酮 3-Methylcyclohexanone 25ML 294元 2014/06/02 M0198 3-甲基环己酮 3-Methylcyclohexanone 500ML 1620元 2010/06/21 126631000 3-甲基环己酮 3-Methylcyclohexanone 97% 100 GR 496元
  • MOL 文件:591-24-2.mol
  • Sigma Aldrich:591-24-2(sigmaaldrich)
  • 图谱信息:3-甲基环己酮(591-24-2)质谱(MS) 3-甲基环己酮(591-24-2)核磁图( 13 CNMR) 3-甲基环己酮(591-24-2)红外图谱(IR1) 3-甲基环己酮(591-24-2)核磁图( 1 HNMR) 3-甲基环己酮(591-24-2)红外图谱(IR2)
  • 上游原料:四氢呋喃 --> 钠 --> 溴化亚铜 --> 三甲基铝 --> 2-环己烯-1-酮

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  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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