3,4,5-Trimethylphenol 3,4,5-三甲基苯酚

CAS 527-54-8 MFCD00002305

化学结构图

527-54-8
SMILES: Cc1cc(O)cc(C)c1C

化学属性

Mol. FormulaC9H12O
Mol. Weight136.19
Melting Point94-98 °C
TSCAYes
Boiling Point251.8 °C at 760 mmHg

别名和识别编码

Chemical Name3,4,5-Trimethylphenol
Beilstein Registry Number1907246
PubChem Substance ID10696
CAS Number527-54-8
EC Number208-418-7
MDL NumberMFCD00002305
Synonym 3,4,5-Trimethylphenol {LY} 3,4,5-Trimethylphenol {} {LY} 3,4,5-Trimethylphenol {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Tri
Chemical Name Translation3,4,5-三甲基苯酚
LabNetwork Molecule IDLN02145142
InChIInChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
Canonical SMILESCC1=C(C)C(=CC(=C1)O)C
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分类

  • {SNA} Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {SA} 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

相关文献及参考

  • Beil. 6 ,IV,3245
  • Corp MSDS 1 (2), 3493:A / FT-NMR 1 (2), 283:A / RegBook 1 (1), 1285:F / Structure Index 1 , 196:C:4 / Vapor Phase 3 , 1030: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 contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • Short: IV/20B Title: Vapor Pressure and Ant

安全信息

Precautionary statements
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P305+P351+P338
WGK Germany3
GHS Symbol
Signal word Danger
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Hazard Codes C
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
Safety Statements
  • 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）；
  • 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；
UN Number UN2430
Risk Statements
  • R34 Causes burns 会导致灼伤
Packing GroupIII
Storage condition

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

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