tert-Amylbenzene 叔戊基苯

CAS 2049-95-8 MFCD00015187

化学结构图

2049-95-8
SMILES: CCC(C)(C)c1ccccc1

化学属性

Mol. FormulaC11H16
Mol. Weight148.25
Density0.87
Refractive index1.4940 to 1.4970
Flash Point59.3°C
TSCAYes
Boiling Point190.1°C at 760 mmHg
Melting Point-44.72 °C

别名和识别编码

Chemical Nametert-Pentylbenzene
Synonym tert-Pentylbenzene {LY} tert-Pentylbenzene {} {LY} tert-Pentylbenzene {} {} {LY} tert-Pentylbenzene {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Pentylbenzene {} {} {} {} {} {}
MDL NumberMFCD00015187
CAS Number2049-95-8
EC Number218-076-0
Beilstein Registry Number2039053
Reaxys-RN2039053
PubChem Substance ID16295
Chemical Name Translation叔戊基苯
InChIKeyQHTJSSMHBLGUHV-UHFFFAOYSA-N
Wiswesser Line Notation2X1&1&R
LabNetwork Molecule IDLN00193291
Canonical SMILESCCC(C1=CC=CC=C1)(C)C
InChIInChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/1a Title: Densities of Liquid Systems: Nonaqueous Systems and Ternary Aqueous Systems Author: Lacmann, R.; Synowietz, C. Editor: Schäfer, Kl. Source: Landolt-Börns

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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
  • P303+P361+P353
  • 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）。
  • P333+P313
  • P333+P317
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P377 Leaking gas fire: Do not extinguish, unless leak can be stopped safely. 漏气着火：切勿灭火，除非漏气能够被安全地制止。
  • P381 Eliminate all ignition sources if safe to do so. 如果安全的话，消除所有点火源。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403 Store in a well-ventilated place. 储存在通风良好的地方。
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSDA6720000
Packing GroupIII
UN Number 3295
Hazard statements
  • H221 Flammable gas 易燃气体。
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Hazard Codes 3
Hazard Class3 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10 mL/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis)
   Lungs, Thorax, or Respiration - acute pulmonary edema
   Blood - hemorrhage
REFERENCE :
   AMIHAB AMA Archives of Industrial Health.  (Chicago, IL)  V.11-21, 1955-60.
   For publisher information, see AEHLAU.  Volume(issue)/page/year: 19,403,1959

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

  • 灭火剂:干粉、泡沫、砂土、二氧化碳
  • 储运特性:库房通风低温干燥
  • 叔戊基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0751 叔戊基苯 tert-Amylbenzene 500ML 2340元 2014/06/02 A0751 叔戊基苯 tert-Amylbenzene 25ML 319元 2010/05/25 L03731 叔戊基苯, 97% tert-Pentylbenzene, 97% 50g 1764元
  • TCI Shanghai:叔戊基苯 tert-Amylbenzene,>;97.0%(GC)(2049-95-8)
  • 用途一:主要用于过氧化氢高溶解度的工作液载体－叔戊基蒽醌的生产，亦可作为溶剂
  • Alfa Aesar:叔戊基苯,97% tert-Pentylbenzene, 97%(2049-95-8)
  • 毒性分级:低毒
  • 类别:易燃液体
  • MOL 文件:2049-95-8.mol
  • 可燃性危险特性:较易燃; 燃烧产生刺激烟雾
  • 上游原料:硫酸 --> 苯 --> 2-甲基-2-丁醇
  • 急性毒性:口服-大鼠LDL0: 8740 毫克/公斤
  • 检测方法:GC,NMR
  • MSDS 信息:(1,1-Dimethylpropyl)benzene(2049-95-8).msds
  • 图谱信息:叔戊基苯(2049-95-8)Raman光谱 叔戊基苯(2049-95-8)红外图谱(IR1) 叔戊基苯(2049-95-8)核磁图( 13 CNMR) 叔戊基苯(2049-95-8)质谱(MS) 叔戊基苯(2049-95-8)核磁图( 1 HNMR)

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. Arenes 芳烃

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