3,4,5-Trimethoxybenzoic Acid 3,4,5-三甲氧基苯甲酸

CAS 118-41-2 MFCD00002501

化学结构图

118-41-2
SMILES: COC1C=C(C=C(OC)C=1OC)C(O)=O

化学属性

Mol. FormulaC10H12O5
Mol. Weight212.20
Boiling Point225-227°C at 760 mmHg
Melting Point168-171°C
Density1.219
TSCAYes
Solubility略溶于水
Flash Point225-226°C/10mm
Appearance 水中结晶者为白色单斜结晶。 微溶于水,溶于乙醇、乙醚和氯仿。

别名和识别编码

Chemical Name3,4,5-Trimethoxybenzoic Acid
CAS Number118-41-2
Synonym 3,4,5-Trimethoxybenzoic acid {LY} 3,4,5-Trimethoxybenzoic acid {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5-Trimethoxybenzoic acid {} {} {} {} {} {} {} {}
Beilstein Registry Number884655
PubChem Substance ID8357
EC Number204-248-2
MDL NumberMFCD00002501
Reaxys-RN884655
Chemical Name Translation3,4,5-三甲氧基苯甲酸
LabNetwork Molecule IDLN00194697
InChIInChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
Canonical SMILESO=C(O)C1=CC(OC)=C(OC)C(OC)=C1
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分类

  • Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • 有机合成中间体。用于生产抗菌增效药甲氧苄啶、抗焦虑药三甲氧啉。

相关文献及参考

  • Beilstein:10,481
  • Dieks, H., et al.:

安全信息

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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany1
GHS Symbol
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
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
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 方法一:没食子酸与硫酸二甲酯进行甲氧基化反应,生成3,4,5-三甲氧基苯甲酸,经中和、过滤、洗涤,得精品。
  • 用途二:有机合成中间体。用于生产抗菌增效药甲氧苄啶、抗焦虑药三甲氧啉。
  • 上游原料:单宁酸
  • 海关编码:29189090
  • Alfa Aesar:3,4,5-三甲氧基苯甲酸,99+% 3,4,5-Trimethoxybenzoic acid, 99+%(118-41-2)
  • 3,4,5-三甲氧基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 K9215001 3,4,5-三甲氧基苯甲酸;没食子酸三甲醚 100g 235元 2011/04/16 T0705 3,4,5-三甲氧基苯甲酸 3,4,5-Trimethoxybenzoic Acid 25G 131元 2011/04/16 T0705 3,4,5-三甲氧基苯甲酸 3,4,5-Trimethoxybenzoic Acid 500G 1010元
  • MSDS 信息:Gallic acid trimethyl ether(118-41-2).msds
  • Sigma Aldrich:118-41-2(sigmaaldrich)
  • Hazard Note:Irritant
  • Acros Organics:3,4,5-三甲氧基苯甲酸 3,4,5-Trimethoxybenzoic acid, 99%(118-41-2)
  • 图谱信息:3,4,5-三甲氧基苯甲酸(118-41-2)质谱(MS) 3,4,5-三甲氧基苯甲酸(118-41-2)核磁图( 1 HNMR) 3,4,5-三甲氧基苯甲酸(118-41-2)红外图谱(IR1) 3,4,5-三甲氧基苯甲酸(118-41-2)红外图谱(IR2) 3,4,5-三甲氧基苯甲酸(118-41-2)核磁图( 13 CNMR)
  • 水中结晶者为白色单斜结晶溶于乙醇、乙醚和氯仿,微溶于水。
  • TCI Shanghai:3,4,5-三甲氧基苯甲酸 3,4,5-Trimethoxybenzoic Acid,>;97.0%(GC)(T)(118-41-2)
  • 下游产品:3,4,5-三甲氧基苯甲酸甲酯
  • MOL 文件:118-41-2.mol
  • 用途一:用作医药、有机合成中间体

系列性分类