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

  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. Aromatic 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. Carboxylic Acids
  6. C1 to C5