2,4,6-Trimethylphenol 2,4,6-三甲基苯酚

CAS 527-60-6 MFCD00002235

化学结构图

527-60-6
SMILES: Cc1cc(C)c(O)c(C)c1

化学属性

Mol. FormulaC9H12O
Mol. Weight136.19
Boiling Point220-221 °C at 760 mmHg
Melting Point70-74 °C
TSCAYes
Flash Point220-221°C
Appearance 白色至浅黄色针状晶体。熔点71-74℃，沸点220℃。

别名和识别编码

Chemical Name2,4,6-Trimethylphenol
Synonym 2,4,6-Trimethylphenol {LY} 2,4,6-Trimethylphenol {} {LY} 2,4,6-Trimethylphenol {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number527-60-6
PubChem Substance ID87576426
EC Number208-419-2
Beilstein Registry Number6,518
MDL NumberMFCD00002235
Reaxys-RN1859675
Chemical Name Translation2,4,6-三甲基苯酚
LabNetwork Molecule IDLN00238046
InChIInChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
Canonical SMILESOC1=C(C)C=C(C)C=C1C
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分类

  • {SA} Alpha sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, Flavors and Fragrances, Food & Beverage Standards, Nutraceuticals, Pesticides & Metabolites, Q-Z, T, TP - TZ
  • {SNA} Building Blocks, C9 to C20+,
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Q-Z
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Q-Z, R-Z
  • {SNA} Alphabetical Index o
  • {SNA} Building Bl

相关文献及参考

  • Short: III/35D2
  • Acetylation of this hindered phenol with acetic anhydride has been effected with hypernucleophilic catalysis by Tri-n-butyl­phosphine, A12649: J. Am. Chem. Soc., 115, 3358 (1993).

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
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
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 C C,N
RTECSOX6590000
Precautionary statements
  • P303+P361+P353+P310+P363
  • 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。
  • 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.....
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P405 Store locked up. 上锁保管。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P305+P351+P338
  • 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。
  • P304+P340+P310
  • P303+P361+P353
  • P301+P330+P331+P310
  • P304+P340
  • 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。
Signal word Danger {} {} {} {} {} {} {} {} {TCI}
UN Number UN2430 UN 2430 8/PG 3 2430 3262
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）；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R51/53
Packing GroupIII
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMPCAS Journal of Medicinal and Pharmaceutical Chemistry.  (Washington, DC)
   V.1-5, 1959-62.  For publisher information, see JMCMAR.
   Volume(issue)/page/year: 2,201,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCTKAG Bromatologia i Chemia Toksykologiczna.  (Ars Polona, POB 1001, 00-068
   Warsaw 1, Poland) V.4-    1971-  Volume(issue)/page/year: 14,301,1981

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 方法一:用苯酚经甲基化制得。
  • MOL 文件:527-60-6.mol
  • 图谱信息:2,4,6-三甲酚(527-60-6)红外图谱(IR2) 2,4,6-三甲酚(527-60-6)Raman光谱 2,4,6-三甲酚(527-60-6)核磁图( 1 HNMR) 2,4,6-三甲酚(527-60-6)红外图谱(IR1) 2,4,6-三甲酚(527-60-6)核磁图( 13 CNMR) 2,4,6-三甲酚(527-60-6)质谱(MS) 2,4,6-三甲酚(527-60-6)红外图谱(IR3)
  • TCI Shanghai:2,4,6-三甲基苯酚 2,4,6-Trimethylphenol,>;98.0%(GC)(527-60-6)
  • Sigma Aldrich:527-60-6(sigmaaldrich)
  • Acros Organics:2,4,6-三甲基苯酚 2,4,6-Trimethylphenol, 99%(527-60-6)
  • 2,4,6-三甲酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0486 2,4,6-三甲基苯酚 2,4,6-Trimethylphenol 500G 2400元 2014/06/02 T0486 2,4,6-三甲基苯酚 2,4,6-Trimethylphenol 25G 248元 2010/06/21 140210500 2,4,6-三甲酚 2,4,6-Trimethylphenol 99% 50 GR 751元
  • MSDS 信息:2,4,6-Trimethylphenol(527-60-6).msds
  • 用途一:维生素E的中间体。
  • Alfa Aesar:2,4,6-三甲基苯酚,98% 2,4,6-Trimethylphenol, 98%(527-60-6)

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. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Pesticides & Metabolites - Environmental Standards
  6. Alpha sort - Pesticides & Metabolites
  7. Q-Z - Alpha sort
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. T - Alphabetic
  5. TP - TZ - T
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Nutraceuticals - Food & Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. S-Z - Flavors and Fragrances
  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

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