3-Phenoxytoluene 3-苯氧基甲苯

CAS 3586-14-9 MFCD00008531

化学结构图

3586-14-9
SMILES: Cc1cccc(Oc2ccccc2)c1

化学属性

Mol. FormulaC13H12O
Mol. Weight184.23
Density1.051
Boiling Point271273°C at 760 mmHg
Refractive index1.5720 to 1.5750
Flash Point>110°(230°F)
TSCAYes
Appearance 1.5730，相对密度 1.051，不溶于水，溶于苯、甲苯、丙酮等有机溶剂。 D 本品为无色液体，b.p.271～273℃，n 20
Melting Point160 °C

别名和识别编码

Chemical Namem-Phenoxytoluene
MDL NumberMFCD00008531
CAS Number3586-14-9
Synonym 1-Methyl-3-phenoxybenzene {LY} 1-Methyl-3-phenoxybenzene {} {LY} 1-Methyl-3-phenoxybenzene {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-3-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID19165
Beilstein Registry Number2045714 2045714
EC Number222-716-4
Reaxys-RN2045714
Chemical Name Translation3-苯氧基甲苯
Wiswesser Line Notation1R COR
LabNetwork Molecule IDLN01307329
InChIInChI=1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3
Canonical SMILESCC1=CC(=CC=C1)OC2=CC=CC=C2
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分类

  • {SNA} Building Blocks, C13, Chemical Synthesis, Ethers, Organic Building Blocks, Oxygen Compounds
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 拟除虫菊酯类杀虫剂

安全信息

WGK Germany2
RTECSDA6142000
Personal Protective Equipment Eyeshields, Gloves
UN Number 3082
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Packing GroupIII
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Hazard Class9
GHS Symbol 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2509 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CHYCDW Zhonghua Yufangyixue Zazhi.  Chinese Journal of Preventive Medicine.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  Beginning history not known.  Volume(issue)/page/year: 21,240,1987

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 :
   Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0537674

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 ug/plate
REFERENCE :
   CHYCDW Zhonghua Yufangyixue Zazhi.  Chinese Journal of Preventive Medicine.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  Beginning history not known.  Volume(issue)/page/year: 21,240,1987

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

  • 方法一:工业上的生产方法是以硫酸铜或氯化亚铜为催化剂，间甲酚、氯苯和氢氧化钾混合在一起，其摩尔比分别为1.95∶1.25∶1，加热回流脱水，反应约10h以后温度升到180℃，停止反应，进行酸洗后减压蒸馏，分别回收间甲酚和氯苯，而最后得到间苯氧基甲苯，收率在75％以上。
  • Sigma Aldrich:3586-14-9(sigmaaldrich)
  • 上游原料:氯化亚铜 --> 硫酸铜 --> 间甲酚 --> 氢氧化钾溶液
  • 用途一:用作农药除虫菊酯类中间体
  • 下游产品:间苯氧基苯甲醛 --> 3-苯氧基苯乙腈
  • 用途三:该品用作拟除虫菊酯杀虫剂、压敏染料、香料的中间体。
  • TCI Shanghai:1-甲基-3-苯氧基苯 3-Phenoxytoluene,>;98.0%(GC)(3586-14-9)
  • Alfa Aesar:3-苯氧基甲苯,97% 3-Phenoxytoluene, 97%(3586-14-9)
  • 3-苯氧基甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 P0831 3-苯氧基甲苯 3-Phenoxytoluene 25ML 446元 2011/04/16 P0831 3-苯氧基甲苯 3-Phenoxytoluene 500ML 3640元 2010/06/21 185101000 3-苯氧基甲苯 3-Phenoxytoluene 98+% 100 GR 1140元
  • MOL 文件:3586-14-9.mol
  • 方法二:间甲酚与氢氧化钾溶液配制成酚钾后，与氯苯进行催化缩合，生成3-苯氧基甲苯。缩合产物经酸、碱处理，除去间甲酚钾、间甲酚等残留杂质，得到纯度≥98%的成品，以间甲酚计，收率约82%。
  • Acros Organics:3-Phenoxytoluene, 98+%(3586-14-9)
  • 用途二:间苯氧基甲苯是合成拟除虫菊酯的关键中间体，主要用以生产间苯氧基苯甲醛。
  • 图谱信息:3-苯氧基甲苯(3586-14-9)质谱(MS) 3-苯氧基甲苯(3586-14-9)红外图谱(IR2) 3-苯氧基甲苯(3586-14-9)红外图谱(IR1) 3-苯氧基甲苯(3586-14-9)Raman光谱
  • 3-苯氧基甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0831 3-苯氧基甲苯 3-Phenoxytoluene 25ML 360元 2014/06/02 P0831 3-苯氧基甲苯 3-Phenoxytoluene 500ML 3100元 2010/06/21 185101000 3-苯氧基甲苯 3-Phenoxytoluene 98+% 100 GR 1140元

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. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  6. C15 to C19 - Ethers
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Epoxides

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