3-(4-Hydroxy-3-Methoxyphenyl)Propanoic Acid 3-(4-羟基甲基)丙酸

CAS 1135-23-5 MFCD00016558

化学结构图

1135-23-5
SMILES: COc1cc(CCC(=O)O)ccc1O

化学属性

Mol. FormulaC10H12O4
Mol. Weight196.20
Melting Point87-93 °C
TSCANo
Boiling Point120-130 °C at 0.5 mmHg

别名和识别编码

Chemical Name3-(4-Hydroxy-3-Methoxyphenyl)Propanoic Acid
CAS Number1135-23-5
Alfabeta NameHYDROXYMETHOXYPHENYLPROPIONICACID 343()----
MDL NumberMFCD00016558
Synonym Dihydroferulic acid {LY} Dihydroferulic acid {} {LY} Dihydroferulic acid {} {} {LY} Dihydroferulic acid {} {} {} {LY} Dihydroferulic acid {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dihydroferulic acid {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID14340
Beilstein Registry Number2110370
EC Number214-489-5
Reaxys-RN2110370
Chemical Name Translation3-(4-羟基甲基)丙酸
LabNetwork Molecule IDLN00159533
InChIInChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
Canonical SMILESO=C(O)CCC1=CC=C(O)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

产品应用

  • A caffeine metabolite which showed high antioxidant activity. It is a very sensitive biomarker for the consumption of relatively small amount of coffee.

相关文献及参考

  • Buchanan, C., et al.: J. Sci. Food Agric., 71, 459 (1996),
  • Andreasen, M., et al.: J. Agric. Food Chem., 49, 5679 (2001),
  • Poquet, L., et al.: Drug Metab. Dispos., 36, 190 (2008),

安全信息

Warnings IRRITANT
WGK Germany2
GHS Symbol
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xn
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word
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;
  • S37 Wear suitable gloves 戴适当手套;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Risk Statements
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

  • 图谱信息:磷酸异丙酯(单双酯混合物)(1135-23-5)核磁图( 13 CNMR) 磷酸异丙酯(单双酯混合物)(1135-23-5)质谱(MS) 磷酸异丙酯(单双酯混合物)(1135-23-5)核磁图( 1 HNMR) 磷酸异丙酯(单双酯混合物)(1135-23-5)红外图谱(IR1) 磷酸异丙酯(单双酯混合物)(1135-23-5)红外图谱(IR2)
  • MOL 文件:1135-23-5.mol
  • Sigma Aldrich:1135-23-5(sigmaaldrich)
  • Alfa Aesar:3-(4-羟基-3-甲氧基苯基)丙酸,97% 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, 97%(1135-23-5)
  • TCI Shanghai:3-(4-羟基-3-甲氧苯基)丙酸 3-(4-Hydroxy-3-methoxyphenyl)propionic Acid,>;96.0%(GC)(T)(1135-23-5)
  • 磷酸异丙酯(单双酯混合物)价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H1180 3-(4-羟基-3-甲氧苯基)丙酸 3-(4-Hydroxy-3-methoxyphenyl)propionic Acid 5G 988元 2014/06/02 H1180 3-(4-羟基-3-甲氧苯基)丙酸 3-(4-Hydroxy-3-methoxyphenyl)propionic Acid 1G 373元 2010/05/25 A12069 3-(4-羟基-3-甲氧基苯基)丙酸, 97% 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, 97% 5g 2870元

系列性分类


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