4-(1,1-Dimethylethyl)cyclohexanone 4-(1,1-二甲基乙基)环己酮

CAS 98-53-3 MFCD00001642

化学结构图

98-53-3
SMILES: CC(C)(C)C1CCC(=O)CC1

化学属性

Mol. FormulaC10H18O
Mol. Weight154.25
Boiling Point225.1°C at 760 mmHg
Melting Point47-50°C
Density0.893
Flash Point96°C
TSCAYes

别名和识别编码

Chemical Name4-(1,1-Dimethylethyl)cyclohexanone
CAS Number98-53-3
PubChem Substance ID87564018
EC Number202-678-5
Beilstein Registry Number507309
MDL NumberMFCD00001642
Reaxys-RN507309
Synonym 4-(tert-Butyl)cyclohexanone {LY} 4-(tert-Butyl)cyclohexanone {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)c
Chemical Name Translation4-(1,1-二甲基乙基)环己酮
InChIKeyYKFKEYKJGVSEIX-UHFFFAOYSA-N
Wiswesser Line NotationL6VTJ DX1&1&1
LabNetwork Molecule IDLN00010546
InChIInChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
Canonical SMILESO=C1CCC(C(C)(C)C)CC1
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分类

  • {SNA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Beil. 7 ,IV,82
  • FT-IR 2 (1), 676:D / FT-IR 1 (1), 434:D / FT-NMR 1 (1), 671:B / IR-Spectra (2), 230:F / IR-Spectra (3), 257:H / NMR-Reference 2 (1), 397:B / RegBook 1 (1), 471:J / Sax 6 , 579 / Sigma FT-IR 1 (2), 353:B / Structure Index 1 , 67:A:4 / Vapor Phase 3 , 519:D

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H303+H313
  • 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
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
RTECSGW1140000
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。
  • P301+P312+P330
  • 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。
Signal word Warning
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 Wear suitable protective clothing 穿戴适当的防护服；
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,729,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,729,1975

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:4-叔丁基环己酮,99% 4-tert-Butylcyclohexanone, 99%(98-53-3)
  • 类别:有毒物质
  • 图谱信息:4-叔丁基环己酮(98-53-3)核磁图( 1 HNMR) 4-叔丁基环己酮(98-53-3)红外图谱(IR2) 4-叔丁基环己酮(98-53-3)Raman光谱 4-叔丁基环己酮(98-53-3)红外图谱(IR1) 4-叔丁基环己酮(98-53-3)质谱(MS) 4-叔丁基环己酮(98-53-3)核磁图( 13 CNMR)
  • 毒性分级:中毒
  • Sigma Aldrich:98-53-3(sigmaaldrich)
  • 储运特性:库房低温干燥通风
  • Acros Organics:4-叔丁基环已酮 4-tert-Butylcyclohexanone, 99%(98-53-3)
  • 上游原料:二氯甲烷 --> 硫酸镁 --> 过氧化氢 --> 氯化铵 --> 氢溴酸 --> N-溴代丁二酰亚胺 --> 亚硫酸氢钠 --> 酸性氧化铝 --> 三氧化铬 --> 硅酸 --> 2,2,6,6-四甲基哌啶氧化物 --> 亚溴酸钠 --> 4-叔丁基环己醇
  • 4-叔丁基环己酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1074 4-叔丁基环己酮 4-tert-Butylcyclohexanone 25G 202元 2014/06/02 B1074 4-叔丁基环己酮 4-tert-Butylcyclohexanone 500G 1480元 2010/06/21 107910250 4-叔丁基环己酮 4-tert-Butylcyclohexanone 99% 25 GR 259元
  • TCI Shanghai:4-叔丁基-环己酮 4-tert-Butylcyclohexanone,>;97.0%(GC)(98-53-3)
  • 可燃性危险特性:热分解排出辛辣刺激烟雾
  • 急性毒性:口服-大鼠 LD50: 5000 毫克/公斤
  • MOL 文件:98-53-3.mol
  • 灭火剂:水, 干粉, 二氧化碳, 泡沫

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
  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. C10 - 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