2,3,6-Trimethylphenol 2,3,6-三甲基苯酚

CAS 2416-94-6 MFCD00002229

化学结构图

2416-94-6
SMILES: Cc1ccc(C)c(O)c1C

化学属性

Mol. FormulaC9H12O
Mol. Weight136.19
Melting Point59-62 °C
Flash Point100
Appearance 白色或淡黄色固体。
Boiling Point215 °C at 760 mmHg
Solubilitymethanol: 0.1 g/mL, clear

别名和识别编码

Chemical Name2,3,6-Trimethylphenol
CAS Number2416-94-6
PubChem Substance ID17016
EC Number219-330-3
Beilstein Registry Number2042207
MDL NumberMFCD00002229
Reaxys-RN2042207
Synonym 2,3,6-Trimethylphenol {LY} 2,3,6-Trimethylphenol {} {LY} 2,3,6-Trimethylphenol {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2,3,6-三甲基苯酚
LabNetwork Molecule IDLN00011000
InChIInChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
Canonical SMILESCC1=C(C)C(=C(C)C=C1)O
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, Q-Z
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
  • Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Kosher Certified Products, O-Z, Q-Z

相关文献及参考

  • Beil. 6 ,III,1831
  • Aldrich MSDS 1 , 1795:A / Corp MSDS 1 (2), 3492:C / FT-IR 2 (2), 1870:B / FT-IR 1 (1), 1092:C / FT-NMR 1 (2), 280:B / IR-Spectra (3), 656:H / IR-Spectra (2), 586:A / NMR-Reference 2 (1), 888:C / RegBook 1 (1), 1283:L / Structure Index 1 , 196:C:2 / Vapor Phase 3 , 1029:B
  • 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. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E con

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes C,Xi Xi
Precautionary statements
  • 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。
  • 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。
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P330+P331+P310
  • P303+P361+P353
  • P304+P340
  • P304+P340+P310
Signal word Danger {} {} {} {} {} {} {} {} {} {TCI}
UN Number UN 2430 8/PG 3 1759 3261
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；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • 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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R38 Irritating to skin 刺激皮肤
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Packing GroupIII
Hazard Class8
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

  • 用途一:用作合成维生素E主环2,3,5-三甲基氢醌的原料
  • 上游原料:4-甲基-2-戊酮 --> 3-戊酮
  • 用途二:合成维生素E中间体2,3,5-三甲基苯醌。
  • MOL 文件:2416-94-6.mol
  • 2,3,6-三甲基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0877 2,3,6-三甲基苯酚 2,3,6-Trimethylphenol 500G 1420元 2014/06/02 T0877 2,3,6-三甲基苯酚 2,3,6-Trimethylphenol 25G 250元
  • TCI Shanghai:2,3,6-三甲基苯酚 2,3,6-Trimethylphenol,>;95.0%(GC)(2416-94-6)
  • Sigma Aldrich:2416-94-6(sigmaaldrich)
  • 图谱信息:2,3,6-三甲基苯酚(2416-94-6)Raman光谱 2,3,6-三甲基苯酚(2416-94-6)红外图谱(IR1) 2,3,6-三甲基苯酚(2416-94-6)核磁图( 1 HNMR) 2,3,6-三甲基苯酚(2416-94-6)核磁图( 13 CNMR) 2,3,6-三甲基苯酚(2416-94-6)质谱(MS) 2,3,6-三甲基苯酚(2416-94-6)红外图谱(IR2)
  • 方法一:用二乙基酮与1-氨基乙烯基甲基酮反应制得。
  • FEMA:3963
  • MSDS 信息:2,3,6-Trimethylphenol(2416-94-6).msds

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. Q-Z - Alphabetical Listings
  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

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