2-Isopropylphenol 2-异丙基苯酚

CAS 88-69-7 MFCD00002224

化学结构图

88-69-7
SMILES: CC(C)C1CCCCC1O

化学属性

Mol. FormulaC9H12O
Mol. Weight136.19
Refractive index1.5240 to 1.5300
Boiling Point-
Density1.012 g/mL at 25 °C(lit.)
Melting Point12-16 °C (lit.)
Flash Point88.89°C
TSCAYes
Vapor Pressure<;0.05 mmHg ( 25 °C)
Solubility不溶
pH:A

别名和识别编码

Chemical Name2-Isopropylphenol
CAS Number88-69-7
Synonym o-Isopropylphenol {LY} o-Isopropylphenol {} {LY} o-Isopropylphenol {} {} {LY} o-Isopropylphenol {} {} {} {LY} o-Isopropylphenol {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {} {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} o-Isopropylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID87571558
EC Number201-852-8
Beilstein Registry Number6,504
MDL Number-
Reaxys-RN1363322
Chemical Name Translation2-异丙基苯酚
Wiswesser Line NotationQR BY1&1
LabNetwork Molecule IDLN00227348
Canonical SMILESOC1=CC=CC=C1C(C)C
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, H-J, I-L
  • {SNA} Alphabetical Listings,
  • {SNA} Alphabetical Listings, Bioactive Small Molecules, Cell Biology, Flavors and Fragrances, I, I-L
  • {SA} Bioactive Small Molecules, Building Blocks, C9 to C20+,

产品应用

  • 2-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
  • Aldrich MSDS 1 , 1123:D / Corp MSDS 1 (1), 2040:A / FT-IR 2 (2), 1837:A / FT-IR 1 (1), 1070:A / FT-NMR 1 (2), 244:B / Fenaroli (418) / IR-Spectra (3), 644:E / IR-Spectra (2), 574:E / NMR-Reference 2 (1), 868:A / RegBook 1 (1), 1265:E / Structure Index 1 , 192:A:2 / Vapor Phase 3 , 1002:A
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Sub

安全信息

GHS Symbol
WGK Germany3
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
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes C Xn C,Xn
RTECSSL5900000
Precautionary statements
  • P303+P361+P353+P310+P363
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • P405 Store locked up. 上锁保管。
  • P304+P340
  • P301+P330+P331+P310
  • P303+P361+P353
Signal word Danger {} {} {} {} {TCI}
UN Number 3145 UN2922 UN 3145 8/PG 2
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R22 Harmful if swallowed 吞咽有害
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
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；
  • 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）；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • 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；
Packing GroupIII
Hazard Class8
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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
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:邻异丙基苯酚是由苯酚和丙烯经烷基化反应而得。 将熔融的苯酚加入反应锅，搅拌升温至100℃左右，按苯酚与铝的摩尔配比为1∶0.0065～0.01，将铝屑投入苯酚中，继续升温至165～170℃，反应0.5h，即得酚铝的苯酚溶液。 将含有3%酚铝的苯酚溶液放入高压釜中，搅拌下升温至200℃，通入经干燥的液态丙烯进行烷基化反应，控制釜内压力1.3～1.4 MPa，温度235～250℃，丙烯通完后继续搅拌20min即得反应液。苯酚的单程转化率控制在50％左右，此时邻异丙基酚的选择性可达80%，若提高苯酚的单程转化率，则副产物2，6-二异丙基
  • 用途二:邻异丙基苯酚是合成异丙威的中间体。
  • 毒性分级:中毒
  • 所属类别一:农药中间体: 杀虫剂中间体: 氨基甲酸酯类杀虫剂
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放。
  • Alfa Aesar:2-异丙基苯酚,98% 2-Isopropylphenol, 98%(88-69-7)
  • 图谱信息:2-异丙基苯酚(88-69-7)核磁图( 1 HNMR) 2-异丙基苯酚(88-69-7)红外图谱(IR1) 2-异丙基苯酚(88-69-7)质谱(MS) 2-异丙基苯酚(88-69-7)核磁图( 13 CNMR)
  • 参考质量标准:FAO/WHO，2000 含量(GT-10-4) ≥98% 折射率(n D 20 ) 1.5
  • 外观性质:无色至琥珀色液体。
  • 用途三:该品是氨基甲酸酯类杀虫剂叶蝉
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 2-异丙基苯酚 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • FEMA:3461
  • MOL 文件:88-69-7.mol
  • 蒸气压:<;0.05 mm Hg ( 25 °C)
  • 2-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 I0173 2-异丙基苯酚 2-Isopropylphenol 500G 902元 2014/06/02 I0173 2-异丙基苯酚 2-Isopropylphenol 25G 137元 2010/06/21 156680050 2-异丙基苯酚 2-Isopropylphenol 97% 5 GR 289元
  • 方法二:由苯酚与丙烯经烷基化反应而得。将熔融的苯酚加入反应锅，搅拌升温至100℃左右，按苯酚与铝的摩尔配比为1：0.0065-0.01，将铝投入苯酚中，继续升温至165-170℃，反应半小时，即得酚铝的苯酚溶液。将酚铝的苯酚溶液投入高压釜中，搅拌升温至235℃，将液体丙烯加入，使苯酚与丙烯的摩尔比保持1：0.65。呈235-250℃，1.3-1.6MPa压力下反应1h。反应物冷却后，进行初馏、精馏，收集苯酚馏分、产品馏分，釜底残液为多烷基酚。苯酚转化率约50%，邻异丙基苯酚单程收率38-39%，2,6-二异丙基酚单程收率10-11%。将2,6-二异丙基酚与苯酚按1：3的摩尔比配合，在295℃左右歧化反应2h，反应中催化剂酚铝的用量为5-6%（重量），有75%左右的2,6-二异丙基酚发生转化，其中90%转化为邻异丙基酚。
  • 毒性:GRAS(FEMA)。
  • 所属类别二:食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {Che
  • 类别:腐蚀物品
  • 爆炸物危险特性:对皮肤,角膜呈腐蚀性
  • TCI Shanghai:2-异丙基苯酚 2-Isopropylphenol,>;98.0%(GC)(88-69-7)
  • 灭火剂:砂土、干粉、泡沫、二氧化碳
  • 下游产品:残杀威 --> 呋喃酚 --> 异丙威 --> 1-(4-羟苯基)哌嗪二氰溴化物
  • 海关编码:29071900

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. I - Bioactive Small Molecules
  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. Aromatic alcohols 芳香醇
  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

相关产品推荐

119-36-8
88-18-6
499-75-2
504-63-2
126-30-7
97-00-7
2078-54-8
1314-56-3
17715-00-3
5430-01-3
10562-68-2
3598-66-1
2078-54-8
2078-54-8