Mesitylmethanol 2,4,6-三甲基苄醇

CAS 4170-90-5 MFCD00014422

化学结构图

4170-90-5
SMILES: Cc1cc(C)c(CO)c(C)c1

化学属性

Mol. FormulaC10H14O
Mol. Weight150.22
Melting Point87-89 °C
TSCANo
Boiling Point140 °C at 15 mmHg
Flash Point140°C/15mm
Appearance 2,4,6-三甲基氯苄(1585-16-6)为白色晶体

别名和识别编码

Chemical NameMesitylmethanol
Synonym 2,4,6-Trimethylbenzyl alcohol {LY} 2,4,6-Trimethylbenzyl alcohol {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00014422
CAS Number4170-90-5
EC Number224-032-1
Beilstein Registry Number6(4)3362
PubChem Substance ID20139
Reaxys-RN1862608
Chemical Name Translation2,4,6-三甲基苄醇
Wiswesser Line NotationQ1R B1 D1 F1
LabNetwork Molecule IDLN00190582
InChIInChI=1S/C10H14O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3
Canonical SMILESCC1=CC(=C(CO)C(=C1)C)C
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
  • {SNA} Alcohols, Building Blocks, C9 to C10, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSDP1402000
Safety Statements
WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
GHS Symbol
Packing GroupII
Hazard Codes C
Hazard Class8
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
UN Number UN 3261 8/PG 2
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 12,347,1962

其他信息

  • 2,4,6-三甲基苄醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1905 2,4,6-三甲基苯甲醇 2,4,6-Trimethylbenzyl Alcohol 5G 630元 2014/06/02 T1905 2,4,6-三甲基苯甲醇 2,4,6-Trimethylbenzyl Alcohol 25G 2240元 2010/06/21 184700020 2,4,6-三甲基苄醇 2,4,6-Trimethylbenzyl alcohol 2 GR 586元
  • Sigma Aldrich:1585-16-6(sigmaaldrich)
  • Alfa Aesar:2,4,6-三甲基苯甲醇,98+% 2,4,6-Trimethylbenzyl alcohol, 98+%(4170-90-5)
  • Acros Organics:2,4,6-三甲基苄醇 2,4,6-Trimethylbenzyl alcohol(4170-90-5)
  • TCI Shanghai:2,4,6-三甲基苯甲醇 2,4,6-Trimethylbenzyl Alcohol,>;98.0%(GC)(4170-90-5)
  • 2,4,6-三甲基氯苄价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1763 2,4,6-三甲基氯苄 2,4,6-Trimethylbenzyl Chloride 5G 344元 2014/06/02 T1763 2,4,6-三甲基氯苄 2,4,6-Trimethylbenzyl Chloride 25G 1120元 2010/06/21 159780050 2,4,6-三甲基氯苄 alpha-2-Chloroisodurene 98% 5 GR 289元
  • Acros Organics:2,4,6-三甲基苄氯 alpha-2-Chloroisodurene, 98%(1585-16-6)
  • Sigma Aldrich:4170-90-5(sigmaaldrich)
  • MSDS 信息:alpha-2-Chloroisodurene(1585-16-6).msds
  • 图谱信息:2,4,6-三甲基氯苄(1585-16-6)Raman光谱 2,4,6-三甲基氯苄(1585-16-6)核磁图( 13 CNMR) 2,4,6-三甲基氯苄(1585-16-6)质谱(MS) 2,4,6-三甲基氯苄(1585-16-6)红外图谱(IR1) 2,4,6-三甲基氯苄(1585-16-6)核磁图( 1 HNMR)
  • MSDS 信息:2,4,6-Trimethylbenzyl alcohol(4170-90-5).msds
  • MOL 文件:4170-90-5.mol
  • Alfa Aesar:2,4,6-三甲基苯甲基氯,98% 2,4,6-Trimethylbenzyl chloride, 98%(1585-16-6)
  • TCI Shanghai:2,4,6-三甲基苄氯 2,4,6-Trimethylbenzyl Chloride,>;98.0%(GC)(T)(1585-16-6)
  • 外观性质:白色晶体粉末。熔点:87-89 °C沸点: 140°C/15 mmHg
  • MOL 文件:1585-16-6.mol

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. Alcohols - Oxygen Compounds
  6. C9 to C10 - Alcohols

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