1-(tert-Butyl)-4-methylbenzene 4-叔丁基甲苯

CAS 98-51-1 MFCD00008837

化学结构图

98-51-1
SMILES: Cc1ccc(C(C)(C)C)cc1

化学属性

Mol. FormulaC11H16
Mol. Weight148.24
Density0.858 g/mL at 25 °C(lit.)
Refractive index1.4900 to 1.4920
Boiling Point191 °C at 760 mmHg
Flash Point65.56°C
TSCAYes
Melting Point-54 °C
Solubility0.06 G/100 ML (20 ºC)

别名和识别编码

Chemical Name1-(tert-Butyl)-4-methylbenzene
CAS Number98-51-1
EC Number202-675-9
Beilstein Registry Number2038670
MDL NumberMFCD00008837
Synonym 1-(tert-Butyl)-4-methylbenzene {LY} 1-(tert-Butyl)-4-methylbenzene {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {} {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {} {} {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {} {} {} {} {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(tert-Butyl)-4-methylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID7390
Chemical Name Translation4-叔丁基甲苯
Reaxys-RN2038670
Wiswesser Line Notation1X1&1&R D1
LabNetwork Molecule IDLN00201365
InChIInChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
Canonical SMILESCC1=CC=C(C=C1)C(C)(C)C
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Arenes, Building Blocks, Chemical Synthesis, Organic Building Blocks
  • {Chemicalbook} 农药中间体: 杀螨剂中间体

相关文献及参考

  • Short: III/35D2
  • Beilstein: 5,IV,1097
  • Short: III/38B

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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;
  • 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);
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R51/53
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R23 Toxic by inhalation 吸入有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R10 Flammable 易燃
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • P308+P313
  • P304+P340+P310
  • P301+P312+P330
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P337+P313
  • P403+P233
  • 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。
  • 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。
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H302+H332
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSXS8400000
Packing GroupIII
UN Number 2667/1992 2667
Hazard Codes Xn
Hazard Class6.1
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 20 ppm/5M
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - conjunctive irritation
   Sense Organs and Special Senses (Taste) - change in function
   Gastrointestinal - nausea or vomiting
REFERENCE :

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 10 ppm/3M
TOXIC EFFECTS :
   Gastrointestinal - nausea or vomiting
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 9,227,1954

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 248 ppm/4H
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - excitement
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 9,227,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1555 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/pag

其他信息

  • MOL 文件:98-51-1.mol
  • 4-叔丁基甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0744 4-叔丁基甲苯 4-tert-Butyltoluene 25ML 118元 2014/06/02 B0744 4-叔丁基甲苯 4-tert-Butyltoluene 500ML 319元 2010/06/21 296320250 4-叔丁基甲苯 4-tert-Butyltoluene 96% 25 ML 271元
  • 毒性分级:中毒
  • 图谱信息:4-叔丁基甲苯(98-51-1)核磁图( 13 CNMR) 4-叔丁基甲苯(98-51-1)Raman光谱 4-叔丁基甲苯(98-51-1)质谱(MS) 4-叔丁基甲苯(98-51-1)红外图谱(IR2) 4-叔丁基甲苯(98-51-1)红外图谱(IR1) 4-叔丁基甲苯(98-51-1)核磁图( 1 HNMR)
  • 外观性质:无色、具芳香气味的液体。
  • 刺激数据:皮肤-兔子 500 毫克/24小时 轻度; 眼睛-兔子 100 毫克 中度
  • 类别:易燃物品
  • 海关编码:29029080
  • 急性毒性:口服-大鼠 LD50: 1555 毫克/公斤; 口服-小鼠 LD50: 778 毫克/公斤
  • 下游产品:哒螨灵 --> 对叔丁基氯苄 --> 对叔丁基苯甲酸
  • 水中溶解度:0.06 wt% (20°C),和异丙醇、甲苯和环己烷混溶,溶于几乎所有的有机溶剂。
  • TCI Shanghai:4-叔丁基甲苯 4-tert-Butyltoluene,>;95.0%(GC)(98-51-1)
  • 用途二:对叔丁基甲苯是杀螨剂哒螨灵的中间体。
  • 储运特性:库房通风低温干燥; 与食品原料、氧化剂分开储运
  • 用途一:用作有机合成中间体
  • Alfa Aesar:4-叔丁基甲苯,95% 4-tert-Butyltoluene, 95%(98-51-1)
  • 灭火剂:二氧化碳、泡沫, 二氧化碳
  • 方法一:其制备方法是将甲苯置于反应釜中,加入催化剂,再加入氯化叔丁烷,反应结束后,水洗分层,有机层蒸馏得产品。 也可以用异丁烯和甲苯在硫酸存在下烷基化反应生成产品,
  • Sigma Aldrich:98-51-1(sigmaaldrich)
  • 上游原料:甲苯 --> 异丁烯
  • Acros Organics:4-tert-Butyltoluene, p.a.(98-51-1)
  • 可燃性危险特性:遇热, 明火可燃; 热分解辛辣刺激烟雾
  • MSDS 信息:对特丁基甲苯(98-51-1).msds
  • 职业标准:TWA 60 毫克/立方米; STEL 120 毫克/立方米

系列性分类


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