3-Isopropylphenol 3-异丙基苯酚

CAS 618-45-1 MFCD00002301

化学结构图

618-45-1
SMILES: CC(C)c1cccc(O)c1

化学属性

Mol. FormulaC9H12O
Mol. Weight136
Refractive indexn20/D 1.526(lit.)
Boiling Point228
Density0.994
Melting Point25
Flash Point104 ºC
Solubility微溶于水。

别名和识别编码

Chemical Name3-Isopropylphenol
CAS Number618-45-1
Synonym 3-(1-Methylethyl)phenol 3-(1-methylethyl)-pheno 3-(1-甲乙基)苯酚 3-HYDROXYCUMOL 3-Hydroxycumene 3-Hydroxycumol 3-ISOPROPYLPHENOL 3-ISOPROPYLPHENOL 97+% 3-ISOPROPYLPHENOL 98% 3-Isopropylphenol 3-isopropyl-phenol 3-isopropylhydroxybenzene 3-isopropylphenol 3-isopropylphenol, sodium salt 3-异丙基苯酚 ISOPROPYLPHENOL, meta Isopropylphenol, meta M-ISOPROPYLPHENOL META-ISOPROPYLPHENO Phenol, 3-(1-methylethyl)- Phenol, m-isopropyl- Phenol, m-isopropyl- Phenol,3-(1-methylethyl)- Phenol,m-isopropyl- m-Cumenol m-Hydroxycumene m-isopropyl-pheno m-isopropylphenol meta-isopropylphenol {uni_hamburg
PubChem Substance ID12059
EC Number 210-551-0
Beilstein Registry Number2040880
MDL NumberMFCD00002301
Reaxys-RN2040880
Chemical Name Translation3-异丙基苯酚
Wiswesser Line NotationQR CY1&1
LabNetwork Molecule IDLN00218425
InChIInChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3
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分类

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

产品应用

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

相关文献及参考

  • Bahri, M., et al.: Biophys. Chem., 129, 82 (2007),
  • Foti, M., et al.: J. Pharm. Pharmacol., 59, 1673 (2007),
  • Vasileiou, I., et al.: Eur. J. Pharmacol., 605, 1 (2009),
  • Beil. 6 ,IV,3210
  • FT-IR 1 (1), 1073:D / RegBook 1 (1), 1267:G / Structure Index 1 , 192:A:6
  • 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/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Z

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • 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。
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes C
RTECSSL5800000
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。
  • 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。
  • 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。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P310
  • P301+P312
  • P301+P330+P331
  • P302+P352
  • P303+P361+P353
  • P304+P340
  • P305+P351+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。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • 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。
  • 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
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P333+P313
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger {TCI}
UN Number 2430
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;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • 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;
  • 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);
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R22 Harmful if swallowed 吞咽有害
Packing GroupII
Hazard Class8
Storage condition 储存温度2-8℃
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           : 1630 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

Restrict 危险品

其他信息

  • color:white to brown
  • 毒性分级:中毒
  • 上游原料:过氧化氢 --> 1,3-二异丙基苯 --> 合成苯酚
  • 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。
  • 爆炸物危险特性:对皮肤,角膜有腐蚀性
  • 急性毒性:口服- 小鼠 LD50: 1630 毫克/ 公斤
  • MOL 文件:618-45-1.mol
  • 灭火剂:砂土、干粉、泡沫、二氧化碳
  • 外观性质:白色结晶。
  • 图谱信息:3-异丙基苯酚(618-45-1)核磁图( 13 CNMR) 3-异丙基苯酚(618-45-1)红外图谱(IR1) 3-异丙基苯酚(618-45-1)质谱(MS)
  • 方法一:由间二异丙苯为原料,经氧化、分解而得。间二异丙苯可来源于异丙苯法合成航空油的副产,亦可来源于异丙苯法合成苯酚、丙酮的副产。第一步间二异丙苯在引发剂作用下,用空气在液相进行氧化,反应温度120℃,反应时间1.0-1.4h。然后将氧化液提浓,将所得间二异丙苯单氢过氧化物,硫酸催化下分解成间异丙基苯酚和丙酮;最后经分离而得成品,并联产丙酮。
  • 3-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 I0434 3-异丙基苯酚 3-Isopropylphenol 500G 2350元 2014/06/02 I0434 3-异丙基苯酚 3-Isopropylphenol 25G 278元
  • 用途一:该品为氨基甲酸酯类杀草木剂异丙威的中间体。
  • TCI Shanghai:3-异丙基苯酚 3-Isopropylphenol,>;98.0%(GC)(618-45-1)
  • MSDS 信息:(间)异丙基苯酚(618-45-1).msds
  • Sigma Aldrich:618-45-1(sigmaaldrich)
  • 可燃性危险特性:可燃; 受热分解刺激气体

系列性分类


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