2,4,6-Trimethylbenzoic acid 2,4,6-三甲基苯甲酸

CAS 480-63-7 MFCD00002481

化学结构图

480-63-7
SMILES: CC1C=C(C)C=C(C)C=1C(O)=O

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Melting Point152-155°C
Density1.088
TSCAYes
Flash Point168°C/8mm
Appearance 白色固体结晶。熔点116-118℃。
Boiling Point296.6°C at 760 mmHg
Solubilityinsoluble

别名和识别编码

Chemical Name2,4,6-Trimethylbenzoic acid
Synonym 2,4,6-Trimethylbenzoic acid {LY} 2,4,6-Trimethylbenzoic acid {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,6-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number9(4)1854
PubChem Substance ID87577185
CAS Number480-63-7
EC Number207-553-9
MDL NumberMFCD00002481
Reaxys-RN1866187
Chemical Name Translation2,4,6-三甲基苯甲酸
Wiswesser Line NotationQVR B1 D1 F1
LabNetwork Molecule IDLN00224309
Canonical SMILESO=C(O)C1=C(C)C=C(C)C=C1C
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分类

  • Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Short: II/27B
  • The mixed anhydride with trifluoroacetic anhydride has been used to protect OH groups as mesitoate esters, very stable to base hydrolysis. The group can be removed reductively, e.g. with LiAlH4: J. Chem. Soc. (C), 2944 (1971), or AlH3: J. Org. Chem., 57, 3431 (1992).
  • Beilstein:9(4)1854

安全信息

WGK Germany3
RTECSDI0887010
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 562 mg/kg
TOXIC EFFECTS :
   Behavioral - rigidity (including catalepsy)
   Behavioral - muscle contraction or spasticity
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 11,1020,1968

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 2,4,6-三甲基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010284 2,4,6-三甲基苯甲酸 100g 500元 2011/04/16 T1421 2,4,6-三甲基苯甲酸 2,4,6-Trimethylbenzoic Acid 10G 682元 2010/05/25 A11831 2,4,6-三甲基苯甲酸, 99% 2,4,6-Trimethylbenzoic acid, 99% 50g 2100元
  • 方法一:用联苯以乙酰氯或乙酸酐乙酰化制得。
  • 用途一:用作医药中间体
  • 图谱信息:2,4,6-三甲基苯甲酸(480-63-7)核磁图( 13 CNMR) 2,4,6-三甲基苯甲酸(480-63-7)核磁图( 1 HNMR) 2,4,6-三甲基苯甲酸(480-63-7)质谱(MS) 2,4,6-三甲基苯甲酸(480-63-7)红外图谱(IR2) 2,4,6-三甲基苯甲酸(480-63-7)红外图谱(IR1)
  • 用途二:抗炎剂联苯乙酸的中间体。
  • Acros Organics:4-乙酰基联苯 4-Acetylbiphenyl, 97%(92-91-1)
  • 下游产品:2,4,6-三甲基苯甲酰氯
  • 下游产品:5-(4-苯基-苯基)噻吩[2,3-D]嘧啶-4(3H)-酮 --> 2-氨基-4-[1,1'-联苯基]-4-基-3-噻吩甲酸乙酯
  • Acros Organics:2,4,6-三甲基苯甲酸 2,4,6-Trimethylbenzoic acid, 99%(480-63-7)
  • Sigma Aldrich:92-91-1(sigmaaldrich)
  • Alfa Aesar:4-乙酰基联苯,98% 4-Acetylbiphenyl, 98%(92-91-1)
  • 用途一:用作染料、杀虫剂、医药和光引发剂的中间体,可用于合成三甲基苯甲酰氯等
  • MSDS 信息:Mesitylenecarboxylic acid(480-63-7).msds
  • 海关编码:29163900
  • 海关编码:29143900
  • 联苯单乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010421 联苯乙酮 50g 296元 2011/04/16 A1025 4-乙酰联苯 4-Acetylbiphenyl 25G 451元 2011/04/16 A1025 4-乙酰联苯 4-Acetylbiphenyl 250G 2220元
  • MSDS 信息:4-Phenylacetophenone(92-91-1).msds
  • TCI Shanghai:4-乙酰联苯 4-Acetylbiphenyl,>;98.0%(GC)(92-91-1)
  • 上游原料:乙酐 --> 乙酰氯 --> 联苯
  • 图谱信息:联苯单乙酮(92-91-1)红外图谱(IR1) 联苯单乙酮(92-91-1)质谱(MS) 联苯单乙酮(92-91-1)核磁图( 1 HNMR) 联苯单乙酮(92-91-1)红外图谱(IR2) 联苯单乙酮(92-91-1)核磁图( 13 CNMR)
  • MOL 文件:480-63-7.mol
  • TCI Shanghai:2,4,6-三甲基苯甲酸 2,4,6-Trimethylbenzoic Acid,>;98.0%(T)(480-63-7)
  • Sigma Aldrich:480-63-7(sigmaaldrich)
  • Alfa Aesar:2,4,6-三甲基苯甲酸,99% 2,4,6-Trimethylbenzoic acid, 99%(480-63-7)
  • MOL 文件:92-91-1.mol

系列性分类


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