CAS: 954-16-5; Mesityl(Phenyl)Methanone

• 英文名称Mesityl(Phenyl)Methanone
• 中文名称苯基2,4,6-三甲基苯基酮
• IUPAC名称mesityl(phenyl)methanone
• 其它别名2,4,6-三甲基苯甲酮; Mesityl Phenyl Ketone; Nsc 26923; Phenyl(2,4,6-Trimethylphenyl)Methanone
• CAS编号954-16-5
• MFCD编号:MFCD02685558
• EINECS号:619-126-8
• 分子式:C16H16O
• 分子量:224.3
• 产品CID: 2007212
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: HPAFOABSQZMTHE-UHFFFAOYSA-N
• InChI=1S/C16H16O/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3…
• 计算化学: 氢键受体数1.0氢键供体数0可旋转键数2

物理性质

• 熔点35 °C
• 沸点326.5-327 °C at 777 mmHg
• 闪点131.2±14.2°C
• 密度1.0±0.1 g/cm3
• PSA:17.07
• LogP:3.84286
• 折射率1.565
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Chloroform (Slightly), DMSO (Slightly)
• 外观形态白色至类白色低熔点固体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于预测防晒霜产品中常用成分的雌激素活性.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别急性毒性 类别4(经口)
  严重眼刺激 类别2
  水生急性毒性 类别1
  水生慢性毒性 类别1
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H319 |造成严重眼刺激.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• UN编号50kgs
• 危险品标志Xn,N
• 安全声明26-60-61
• 危险类别码22-36-50/53

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 2,4,6-Trimethylbenzophenone 主要起始原料 Methyl Benzoate And Mesitylene
• 98-88-4 = 954-16-5
  反应条件:1.1 Catalysts: Iron Oxide (Fe2O3); 3 H,110 °C
  标题:An Efficient Fe2O3/hy Catalyst For Friedel-Crafts Acylation Of M-Xylene With Benzoyl Chloride
  作者:Mu,Manman; Chen,Ligong; Liu,Yunlong; Fang,Wangwang; Li,Yang
  参考文献:Rsc Advances 日期:2014 卷标:4(70) 页码:36951-36958]
  
  98-88-4 = 954-16-5
  反应条件:1.1 Reagents: Iodine,Phosphorus Trichloride; 36 H,160 °C
  标题:Iodine Promoted Conversion Of Esters To Nitriles And Ketones Under Metal-Free Conditions
  作者:Xiao,Jing; Guo,Fengzhe; Li,Yinfeng; Li,Fangshao; Li,Qiang; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(2) 页码:2028-2035]
  
  5980-97-2 + 1804967-87-0 = 954-16-5
  反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Palladium Diacetate,Phosphine,Tricyclohexyl-,Tetrafluoroborate(1-) (1:1) Solvents: 1,4-Dioxane; Rt; 15 H,120 °C
  标题:Sterically Hindered Ketones Via Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Of Amides By N-C(O) Activation
  作者:Liu,Chengwei; Lalancette,Roger; Szostak,Roman; Szostak,Michal
  参考文献:Organic Letters 日期:2019 卷标:21(19) 页码:7976-7981]
  
  98-88-4 = 954-16-5
  反应条件:1.1 Catalysts: Potassium Chloride (Pizp-Catalyst),Phosphoric Acid (Pizp-Catalyst),Zirconium Oxychloride (Pizp-Catalyst),Iron Chloride (Fecl3) (Pizp-Catalyst); 2.5 H,110 °C
  标题:A Novel Sol-Gel Synthesized Catalyst For Friedel-Crafts Benzoylation Reaction Under Solvent-Free Conditions
  作者:Gawande,M. B.; Deshpande,S. S.; Sonavane,S. U.; Jayaram,R. V.
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2005 卷标:241(1-2) 页码:151-155]
  
  36967-85-8 = 954-16-5 [标题:Reaction Conditions
  标题:Electrophilic Aromatic Substitution. 25. Carboxylic Trifluoromethanesulfonic Anhydrides As Highly Effective Acylation Agents. Perfluoroalkanesulfonic Acid Catalyzed Acylation Of Arenes
  作者:Effenberger,Franz; Sohn,Erich; Epple,Gerhard
  参考文献:Chemische Berichte 日期:1983 卷标:116(3) 页码:1195-208]
  
  65-85-0 = 954-16-5
  反应条件:1.1 Reagents: Benzotrichloride Catalysts: Iron Oxide (Fe2O3),Hydrate (1:2); 8 H,0.18 Mpa,125 °C
  标题:Preparation Of Benzophenone Derivatives
  参考文献:China]
  
  98-88-4 = 954-16-5
  反应条件:1.1 Catalysts: Bismuth Triflate Solvents: 1-Butyl-3-Methylimidazolium Trifluoromethanesulfonate; 30 Min,140 °C
  标题:Improvement Of The Friedel-Crafts Benzoylation By Using Bismuth Trifluoromethanesulfonate In 1-Butyl-3-Methylimidazolium Trifluoromethanesulfonate Ionic Liquid Under Microwave Irradiation
  作者:Hoangtran,Phuong; Bichle Do,Ngoc; Ngocle,Thach
  参考文献:Tetrahedron Letters 日期:2014 卷标:55(1) 页码:205-208]
  
  98-88-4 = 954-16-5
  反应条件:1.1 Catalysts: Hydrochloric Acid,Uranyl Chloride Solvents: Water
  标题:Acylation Of Aromatic Compounds
  参考文献:France]
  
  65-85-0 = 954-16-5
  反应条件:1.1 Reagents: Trifluoroacetic Anhydride Catalysts: Bismuth Triflate; 0 °C; 12 H,30 °C
  标题:The Friedel-Crafts Acylation Of Aromatic Compounds With Carboxylic Acids By The Combined Use Of Perfluoroalkanoic Anhydride And Bismuth Or Scandium Triflate
  作者:Matsushita,Yoh-Ichi; Sugamoto,Kazuhiro; Matsui,Takanao
  参考文献:Tetrahedron Letters 日期:2004 卷标:45(24) 页码:4723-4727]
  
  98-88-4 = 954-16-5
  反应条件:1.1 Catalysts: Copper Iron Oxide (Cufe2O4); 18 H,35 - 38 °C
  标题:Catalytic Friedel-Crafts Acylation: Magnetic Nanopowder Cufe2O4 As An Efficient And Magnetically Separable Catalyst
  作者:Parella,Ramarao; Naveen; Kumar,Amit; Babu,Srinivasarao Arulananda
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(13) 页码:1738-1742]
  
  98-88-4 = 954-16-5
  反应条件:1.1 Catalysts: Tetrakis[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-N-[(1,1,2,2,3,3,4,4,5... Solvents: Chlorobenzene; 3 H,110 °C; 1 H,100 °C
  标题:Hf[n(So2C8F17)2]4-Catalyzed Friedel-Crafts Acylation In A Fluorous Biphase System
  作者:Hao,Xiuhua; Yoshida,Akihiro; Nishikido,Joji
  参考文献:Tetrahedron Letters 日期:2005 卷标:46(15) 页码:2697-2700]
  
  65-85-0 = 954-16-5
  反应条件:1.1 Reagents: Trifluoroacetic Acid,2-Pyridyl Triflate Solvents: Trifluoroacetic Acid
  标题:2-(Trifluoromethylsulfonyloxy)Pyridine As A Reagent For Ketone Synthesis From Carboxylic Acids And Aromatic Hydrocarbons
  作者:Keumi,Takashi; Yoshimura,Kiichiro; Shimada,Masakazu; Kitajima,Hidehiko
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1988 卷标:61(2) 页码:455-9]
  
  934-56-5 + 938-18-1 = 954-16-5
  反应条件:1.1 Catalysts: 2623973-37-3 Solvents: Benzene-D6; Rt -> 75 °C; 12 H,75 °C
  标题:Phosphine-Borane Ligands Induce Chemoselective Activation And Catalytic Coupling Of Acyl Chlorides At Palladium
  作者:Boudjelel,Maxime; Sadek,Omar; Mallet-Ladeira,Sonia; Garcia-Rodeja,Yago; Sosa Carrizo,E. Daiann; Et Al
  参考文献:Acs Catalysis 日期:2021 卷标:11(7) 页码:3822-3829]
  
  2633-66-1 + 155632-06-7 = 954-16-5
  反应条件:1.1 Solvents: Tetrahydrofuran; 5 Min,-15 °C; 3 H,-15 °C -> Rt1.2 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:6-Methyl-2,4-Pyrimidyl Diesters. A Highly Efficient Acylating Agent For The Synthesis Of Unsymmetrical Ketones
  作者:Lee,Jae In
  参考文献:Bulletin Of The Korean Chemical Society 日期:2010 卷标:31(3) 页码:749-752

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
  2914190090-其他无环酮
  2914399090-其他芳香酮
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

专利信息

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管