4-Isopropylphenol 4-异丙基苯酚

CAS 99-89-8 MFCD00002372

化学结构图

99-89-8
SMILES: CC(C)C1CCC(O)CC1

化学属性

Mol. FormulaC9H12O
Mol. Weight136.19
Boiling Point208.6±9.0 °C at 760 mmHg
Melting Point59-61 °C
Flash Point108°C
TSCAYes
Vapor Density>;1 (vs air)
Solubility微溶于水，易溶于乙醇、乙醚。
Density0.987

别名和识别编码

Chemical Name4-Isopropylphenol
CAS Number99-89-8
Synonym 4-Isopropylphenol {LY} 4-Isopropylphenol 4-isopropyl-phenol 4-isopropylphenol 4-异丙基苯酚 4-异丙基酚 p-Hydroxycumene p-cumenol p-isopropylphenol Australol NSC 1888 P-CUMENOL PARA-ISOPROPYLPHENOL Phenol, 4-(1-methylethyl)- Phenol, p-isopropyl- Phenol, p-isoprop {} {LY} 4-Isopropylphenol {} {} {LY} 4-Isopropylphenol {} {} {} {LY} 4-Isopropylphenol {} {} {} {} {LY} 4-Isopropylphenol {} {} {} {} {} {LY} 4-Isopropylphenol {} {} {} {} {} {} {LY} 4-Isopropylphenol {} {} {} {} {} {} {} {LY} 4-Isopropylphenol {} {} {} {} {} {} {} {} {LY} 4-Isopropylphenol {} {} {} {} {} {} {} {} {} {LY} 4-Isopropylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Isopropylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Iso
PubChem Substance ID7465
EC Number202-798-8
Beilstein Registry Number1363564
MDL NumberMFCD00002372
Reaxys-RN1363564
Chemical Name Translation4-异丙基苯酚
Wiswesser Line NotationQR DY1&1
LabNetwork Molecule IDLN00222282
InChIInChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
Canonical SMILESOC1=CC=C(C(C)C)C=C1
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分类

  • {SNA} Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment

产品应用

  • 4-Isopropylphenol is an impurity of Propofol (P829750).

相关文献及参考

  • Bahri, M., et al.: Biophys. Chem., 129, 82 (2007),
  • Vasileiou, I., et al.: Eur. J. Pharmacol., 605, 1 (2009),
  • Beilstein:6,505
  • Short: III/38B
  • Short: IV/20B
  • Short: IV/16
  • Foti, M., et al.: J. Pharm. Pharmacol., 59, 1673 (2007),

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302 Harmful if swallowed 吞食有害
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes 8 C
RTECSSL5950000
Precautionary statements
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
UN Number 2430 UN 2430 8/PG 3 UN2430
Safety Statements
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • 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）；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R52/53
Packing GroupIII
Hazard Class8
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 875 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 46(1),94,1981

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Lungs, Thorax, or Respiration - dyspnea
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: 5,339,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 40 mg/kg
TOXIC EFFECTS :
   Behavioral - sleep
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 23,1350,1980

Restrict 危险品

其他信息

  • TCI Shanghai:4-异丙基苯酚 4-Isopropylphenol,>;99.0%(GC)(99-89-8)
  • 爆炸物危险特性:对皮肤,角膜有腐蚀性
  • 类别:腐蚀物品
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放。
  • 蒸气密度:>;1 (vs air)
  • 毒性分级:中毒
  • 4-异丙基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0262 4-异丙基苯酚 4-Isopropylphenol 25G 351元 2014/06/02 I0262 4-异丙基苯酚 4-Isopropylphenol 500G 1080元 2010/06/21 174511000 4-异丙基苯酚 4-Isopropylphenol 98% 100 GR 435元
  • 图谱信息:4-异丙基苯酚(99-89-8)核磁图( 13 CNMR) 4-异丙基苯酚(99-89-8)红外图谱(IR1) 4-异丙基苯酚(99-89-8)红外图谱(IR2) 4-异丙基苯酚(99-89-8)红外图谱(IR3) 4-异丙基苯酚(99-89-8)质谱(MS) 4-异丙基苯酚(99-89-8)核磁图( 1 HNMR)
  • 灭火剂:砂土、干粉、泡沫、二氧化碳
  • 4-异丙基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 I0262 4-异丙基苯酚 4-Isopropylphenol 25G 175元 2011/04/16 I0262 4-异丙基苯酚 4-Isopropylphenol 500G 749元 2010/06/21 174511000 4-异丙基苯酚 4-Isopropylphenol 98% 100 GR 435元
  • Hazard Note:Corrosive/Harmful
  • 外观性质:白色针状结晶。
  • 海关编码:29071900
  • 急性毒性:口服- 小鼠 LD50: 875 毫克/ 公斤
  • MSDS 信息:(对)异丙基苯酚(99-89-8).msds
  • Alfa Aesar:4-异丙基苯酚,98% 4-Isopropylphenol, 98%(99-89-8)
  • Acros Organics:4-异丙基苯酚 4-Isopropylphenol, 98%(99-89-8)
  • MOL 文件:99-89-8.mol
  • Sigma Aldrich:99-89-8(sigmaaldrich)
  • 可燃性危险特性:可燃; 受热分解刺激气体

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. Phenols 酚类
  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. Phenols 酚类
  6. C9 to C20+ - Phenols
  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. Protected Alcohols/Phenols - 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

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