2-(4-tert-Butylphenyl)ethanol 4-叔丁基苯乙基醇

CAS 5406-86-0 MFCD00236023

化学结构图

5406-86-0
SMILES: CC(C)(C)c1ccc(CCO)cc1

化学属性

Mol. FormulaC12H18O
Mol. Weight178.27
Density0.975
Refractive index1.5209
Melting Point32-35°C
TSCANo
Boiling Point141-143 °C at 15 mmHg
Flash Point141-143°C/15mm
Appearance 本品为无色液体,b.p.106~110℃/266Pa,n D 1.5209,不溶于水,溶于四氢呋喃等溶剂。 20

别名和识别编码

Chemical Name2-(4-tert-Butylphenyl)ethanol
MDL NumberMFCD00236023
CAS Number5406-86-0
Synonym 2-(4-(tert-Butyl)phenyl)ethanol {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {} {} {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {} {} {} {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {} {} {} {} {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-(tert-Butyl)phenyl)ethanol {} {} {} {} {} {} {} {} {}
EC Number410-020-5
Beilstein Registry Number2246595
Chemical Name Translation4-叔丁基苯乙基醇
InChIKeyNZGMMENPUKHODD-UHFFFAOYSA-N
Wiswesser Line NotationQ2R DX1&1&1
PubChem Substance ID79410
LabNetwork Molecule IDLN00215573
InChIInChI=1S/C12H18O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,13H,8-9H2,1-3H3
Canonical SMILESCC(C1=CC=C(CCO)C=C1)(C)C
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分类

  • {Chemicalbook} 农药中间体: 杀螨剂中间体
  • {SNA} Alcohols, Building Blocks, C11 to C30+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds

安全信息

RTECSSG7875000
Packing GroupIII
UN Number UN3077 3077
Risk Statements
  • R52 Harmful to aquatic organisms 对水生生物有害
  • R51/53
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
  • R48/22
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Safety Statements
  • 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;
  • 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;
  • 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;
  • S2 Keep out of the reach of children 避免儿童触及;
Hazard Codes Xn,N
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 62500 ug/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - tremor
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 6,374,1954

WGK Germany3
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P203
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264+P265
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P305+P351+P338
  • P305+P354+P338
  • P308+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P317
  • P318
  • P319
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard statements
  • H318 Causes serious eye damage 严重伤害眼睛
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。

其他信息

  • MSDS 信息:2-(4-tert-Butylphenyl)ethanol(5406-86-0).msds
  • 用途一:对叔丁基苯乙醇是杀螨剂喹螨醚的中间体。
  • 4-叔丁基苯乙醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L13611 4-叔丁基苯乙基醇, 96% 2-(4-tert-Butylphenyl)ethanol, 96% 5g 552元 2010/05/25 L13611 4-叔丁基苯乙基醇, 96% 2-(4-tert-Butylphenyl)ethanol, 96% 25g 2044元
  • Alfa Aesar:4-叔丁基苯乙基醇,96% 2-(4-tert-Butylphenyl)ethanol, 96%(5406-86-0)
  • 上游原料:四氢呋喃 --> 4-叔丁基溴苯 --> 镁条
  • 方法一:其制备方法是在反应瓶中加入镁条和一小粒碘,慢慢滴加对叔丁基溴苯和THF溶液至烧瓶中,在滴入一小部分后,慢慢微微加热,反应本身也放热,开动搅拌,再继续加入对叔丁基溴苯和THF溶液,加毕后,加热回流1h,反应液冷却至10℃,再慢慢滴加环氧乙烷的四氢呋喃液,加毕,温度升至室温,再加热回流1h,然后向烧瓶中慢慢加入5%HCl,分出有机层,蒸去溶剂得产品。
  • MOL 文件:5406-86-0.mol

系列性分类


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