3,4,5-Trihydroxybenzoic acid hydrate 3,4,5-三羟基苯甲酸水合物

CAS 5995-86-8 MFCD00002510

化学结构图

5995-86-8
SMILES: O.O=C(O)c1cc(O)c(O)c(O)c1

化学属性

Mol. FormulaC7H8O6
Mol. Weight188.13
Density1.694
Melting Point252°C
TSCAYes
Appearance 白色或浅褐色针状结晶或粉末。熔点235-240℃（分解）。加热至100-120℃失去结晶水，加热至200℃以上时失去二氧化碳而生成焦性没食子酸（即连苯三酚）。溶于热水、乙醚、乙醇、丙酮和甘油，难溶于冷水，不溶于苯和氯仿。 白色或淡黄色针状晶体，或棱柱状晶体。有绢丝光泽，味微酸。 溶于乙醇、丙酮、乙二醇，微溶于水、乙醚。
SolubilitySoluble in water (11.5 mg/ml), ethanol, acetone, and Alcohol. Insoluble in chloroform.
Stability对光和湿度敏感
Flash Point250°C

别名和识别编码

Chemical Name3,4,5-Trihydroxybenzoic acid hydrate
MDL NumberMFCD00149098
CAS Number5995-86-8
EC Number205-749-9
Beilstein Registry Number10,470
Synonym Gallic acid (hydrate) {LY} Gallic acid (hydrate) {} {LY} Gallic acid (hydrate) {} {} {LY} Gallic acid (hydrate) {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {} {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {} {} {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gallic acid (hydrate) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {}
PubChem Substance ID24721416
Merck Number4345
Chemical Name Translation3,4,5-三羟基苯甲酸水合物
InChIKeyLNTHITQWFMADLM-UHFFFAOYSA-N
Reaxys-RN2050274
LabNetwork Molecule IDLN00195120
InChIInChI=1S/C7H6O5.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H2
Canonical SMILESO=C(O)C1=CC(O)=C(O)C(O)=C1.O
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分类

  • {SNA} Acacia,
  • {SA} Acacia, Antioxidant and Free Radical Scavengers, Aspalathus linearis (Rooibos tea), Cancer Research, Chemopreventive Agents, Cimicifuga racemosa, Ephedra sinica, Euphorbia sp, Hypericum perforatum (St John′s wort), Myrica cerifera, Nutrition Research, Phenols, Phytochemicals by Chemical Classification, Phytochemicals by Plant (Food/Spice/Herb), Vaccinium myrtillus (Bilberry)
  • {SNA} Acids, Acids & Bases, Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Acids, Organic Building Blocks,
  • {SNA} Acids,

产品应用

  • 试验游离矿酸、二羟基丙酮和生物碱等，电化分析中的去极剂，还原磷钼酸，检定锑、钡、铋、钙、铈和铜等。测定磷、亚硝酸盐、银、钍和钛等。

相关文献及参考

  • [2]. Bak EJ, et al. Gallic acid improves glucose tolerance and triglyceride concentration in diet-induced obesity mice. Scand J Clin Lab Invest. 2013 Dec;73(8):607-14.
  • [3]. Cheng Y, et al. Plant Natural Products Calycosin and Gallic Acid Synergistically Attenuate Neutrophil Infiltration and Subsequent Injury in Isoproterenol-Induced Myocardial Infarction: A Possible Role for Leukotriene B4 12-Hydroxydehydrogenase? Oxid Med Cell Longev. 2015;2015:434052.
  • [4]. Felipe Hugo Alencar Fernandes, et al. Gallic Acid: Review of the Methods of Determination and Quantification. Crit Rev Anal Chem
  • [1]. Amaravani M, et al. COX-2 structural analysis and docking studies with gallic acid structural analogues. Springerplus. 2012 Dec;1(1):58.
  • [1]. Amaravani M, et al. COX-2 structural analysis and docking studies with gallic acid structural analogues. Springerplus. 2012 Dec;1(1):58.
  • [2]. Bak EJ, et al. Gallic acid improves glucose tolerance and trigl

安全信息

Signal word
GHS Symbol
WGK Germany2
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
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。
  • P264+P265
  • 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
  • P302+P352+P332+P313+P362+P364
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSLW7525000
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
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

  • Gallic acid is an antiinflammatory and Cox (cyclooxygease inhibitory subs
  • 毒性分级:中毒
  • 图谱信息:没食子酸(149-91-7)核磁图( 1 HNMR) 没食子酸(149-91-7)红外图谱(IR1) 没食子酸(149-91-7)红外图谱(IR2) 没食子酸(149-91-7)质谱(MS) 没食子酸(149-91-7)红外图谱(IR3) 没食子酸(149-91-7)核磁图( 13 CNMR)
  • 没食子酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 410862500 没食子酸 Gallic acid 98% 250 GR 1095元 2010/06/21 410860050 没食子酸 Gallic acid 98% 5 GR 306元 2010/06/21 410860010 没食子酸 Gallic acid 98% 1 KG 2732元
  • Alfa Aesar:3,4,5-三羟基苯甲酸,无水的,99% 3,4,5-Trihydroxybenzoic acid, anhydrous, 99%(149-91-7)
  • 没食子酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 10010218 没食子酸;3,4,5-三羟基苯甲酸;五倍子酸;棓酸 500g 230元 2011/04/16 G0011 没食子酸水合物 Gallic Acid Hydrate 25G 186元 2011/04/16 G0011 没食子酸水合物 Gallic Acid Hydrate 500G 873元
  • MOL 文
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • 急性毒性:静脉-小鼠 LD50: 320 毫克/公斤
  • 用途三:用作化学试剂
  • 方法一:由五倍子制得。五倍子的主要成分为单宁酸，属水解类单宁，能溶于热水，具有涩味，是和种无定形的复杂有机物。我国五倍子单宁酸是由五倍子酸、双倍酸与葡萄糖结合以甙或酯的形式形成的复杂混合物。单宁酸经加压水解即生成没食子酸和葡萄糖。水解时先生成以没食子酸酯，再由双没食子酸酯水解成没食子酸，水解温度为133-135℃，压力为0.18-0.2MPa。从升压至0.18MPa开始反应保持2h即达终点。与常压水解比较，可节约硫酸和蒸汽，生产能力可提高25%。
  • Alfa Aesar:3,4,5-三羟基苯甲酸一水化物,ACS,98+% 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98+%(5995-86-8)
  • MSDS 信息:3,4,5-Trihydroxybenzoic acid(149-91-7).ms
  • 急性毒性:静脉- 小鼠 LD50: 320 毫克/公斤
  • 下游产品:3,4,5-三乙氧基苯甲酸 --> 1,2,3—三甲氧基苯 --> 没食子酸甲酯 --> 没食子酸乙酯 --> 2,3,4—三甲氧基苯甲醛 --> 墨水 --> 2,3,4-三羟基苯甲醛
  • 用途四:没食子酸在制药，墨水，染料，食品，轻工和有机合成等方面有许多用途。没食子酸与三价铁离子生成蓝黑色沉淀，是蓝黑墨水的原料；工业上也用于制革；还可做照相显影剂。没食子酸丙酯为抗氧剂，可用于食用油脂以防腐臭变质。在医药上没食子酸是止血收敛剂，也是温和的局部刺激剂。
  • 无气味，微有酸味，遇光变成棕褐色。热至100-120℃失去结晶水。有收敛性。能溶于热水、醇甘油和丙酮，微溶于醚，不溶于苯、氯仿和石油醚。1g溶于87ml水、3ml沸水、6ml乙醇、100ml乙醚、10ml甘油、5ml丙酮。半数致死量(兔，经口)5g/kg。有刺激性。
  • 敏感性:Hygroscopic
  • F:8-9-23
  • 存储注意事项:光敏感
  • 类别:有毒物质
  • Acros Organics:没食子酸 Gallic acid, 98
  • 用途一:用于制造噻嗪染料、恶嗪染料、药物等

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Chemical Classification - Nutrition Research
  4. Plant Extracts - Phytochemicals by Chemical Classification
  1. Life Science 生命科学
  2. Cancer Research
  3. Chemopreventive Agents - Cancer Research
  4. Antioxidant and Free Radical Scavengers - Chemopreventive Agents
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Euphorbia sp - Phytochemicals by Plant (Food/Spice/Herb)
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. G - Alphabetic
  1. Research Essentials 基础科研
  2. Essential Chemicals - Research Essentials
  3. Inorganic Salts, Solutions and Reagents - Essential Chemicals
  4. ACS Grade - Inorganic Salts, Solutions and Reagents
  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. C7 - Carboxylic Acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Natural Compounds - Life Sciences Standards
  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. C6
  1. Functional Group 官能团索引
  2. 1,2-diphenol
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Type
  6. Other
  1. Medical Research Areas
  2. Metabolism
  3. Reactive Oxygen Species  (活性氧)
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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