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  2. 537-98-4
(E)-Ferulic acid | 537-98-4

Product Name:(E)-Ferulic acid

CAS No:537-98-4
MF:C10H10O4
MW:194.1840
MDL:MFCD00004400
CID:38141
PubChem ID:24870004
Introduction
       阿魏酸(Ferulic Acid)的化学名称为4羟基3甲氧基肉桂酸,是桂皮酸(又称肉桂酸,3苯基2丙烯酸,分子结构)的衍生物之一。阿魏酸能清除自由基,促进清除自由基的酶的产生,增加谷胱甘肽转硫酶和醌还原酶的活性,并抑制酪氨酸酶活性,来调节人体生理机能。
Names and Identifiers
  • trans-4-Hydroxy-3-methoxycinnamic acid
  • Ferulic acid
  • trans-Ferulic acid
  • trans-Ferulic aCld
  • FERULIC ACID, trans-(P) PrintBack
  • FERULIC ACID, trans-(RG)
  • (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
  • 3-(4-Hydroxy-3-Methoxyphenyl)-2-propenoic acid
  • 3-Methoxy-4-hydroxy cinnaMic acid
  • Caffeic acid 3-Methyl ether
  • trans-4-Hydroxy-3-methoxycinnamic acid,Ferulic acid
  • trans-4-Hydroxy-3-methoxycinnamic acid,trans-Ferulic acid,Ferulic acid
  • trans-4-Hydroxy-3-methoxycinnamic Acid (purified by sublimation)
  • [ "" ]
  • 4-Hydroxy-3-methoxycinnamic acid
  • 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid
  • (E)-Ferulic acid
  • ferulate
  • Coniferic acid
  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-
  • Ferulic acid, trans-
  • Fumalic acid
  • (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
  • Cinnamic acid, 4-hydroxy-3-methoxy-
  • 3-methoxy-4-hydroxycinnamic acid
  • (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propeno
  • trans-Ferulic Acid,99%
  • MDL:MFCD00004400
  • InChIKey:KSEBMYQBYZTDHS-HWKANZROSA-N
  • Inchi:1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
  • SMILES:O(C([H])([H])[H])C1=C(C([H])=C([H])C(/C(/[H])=C(\[H])/C(=O)O[H])=C1[H])O[H]
  • BRN:1371483
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 194.18g/mol
  • Surface Charge: 0
  • XLogP3: 1.5
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 3
  • Exact Mass: 194.057909g/mol
  • Monoisotopic Mass: 194.057909g/mol
  • Topological Polar Surface Area: 66.8Ų
  • Heavy Atom Count: 14
  • Complexity: 224
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • 氢键受体计数: 4
  • 拓扑极表面积: 66.8A^2
  • 同位素原子计数: 0
  • 互变异构体数量: 5
  • 疏水参数计算参考值(XLogP3-AA): 1.5
  • 表面电荷: 0

Experimental Properties

  • Dissociation Constants:pKa = 4.42 (hydroxy) (est)
  • LogP: 1.49860
  • PSA: 66.76000
  • Merck: 4062
  • 折射率: 1.5030 (estimate)
  • 水溶性: Soluble in alcohol and hot water.
  • 沸点: 372.3°C at 760 mmHg
  • 闪点: 150℃
  • 颜色与性状: Powder
  • 稳定性: Stable. Incompatible with strong oxidizing agents.
  • 溶解性: 溶于热水、乙醇、乙酸乙酯,微溶于石油醚、苯。
  • 敏感性: 对光敏感
  • 密度: 1.316(20.0000℃)
Security Information
  • Symbol: GHS07
  • RTECS号:UD3365500
  • WGK Germany:3
  • 安全说明:S26-S36
  • 风险术语:R36/37/38
  • 危險品標誌: Xi Xi
  • 危险品运输编号:NONH for all modes of transport
  • 危害声明:H315,H319,H335
  • 警示性声明:P261,P305+P351+P338
  • 提示语:警告
  • 储存条件:Keep in dark place,Sealed in dry,Room Temperature(BD21297)
  • 危险类别码:36/37/38
  • 信号词:Warning
  • TSCA:Yes
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