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

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkanes 烷烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C10 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C13 to C14 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids

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