Piperonylic acid 胡椒酸

CAS 94-53-1 MFCD00005830

化学结构图

94-53-1
SMILES: O=C(O)c1ccc2c(c1)OCO2

化学属性

Mol. FormulaC8H6O4
Mol. Weight166.13
Melting Point229-231°C
Density1.422
TSCAYes
Solubility略溶于水
Appearance 白色棱状或针状结晶。熔点229℃。微溶于水、氯仿、冷乙醇、乙醚。
Boiling Point254.32 °C at 760 mmHg

别名和识别编码

Chemical NamePiperonylic acid
Synonym Piperonylic acid {LY} Piperonylic acid {} {LY} Piperonylic acid {} {} {LY} Piperonylic acid {} {} {} {LY} Piperonylic acid {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} { {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} P
CAS Number94-53-1
PubChem Substance ID7196
EC Number202-342-8
Beilstein Registry Number150206
MDL NumberMFCD00005830
Reaxys-RN150206
Merck Number7477
Alfabeta NamePIPERONYLICACID
Chemical Name Translation胡椒酸
LabNetwork Molecule IDLN00008623
InChIInChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
Canonical SMILESO=C(C1=CC=C(OCO2)C2=C1)O
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分类

  • Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beil. 19 ,V,7,300
  • FT-IR 1 (2), 212:C / FT-IR 2 (2), 2684:A / FT-NMR 1 (2), 1111:A / IR-Spectra (3), 969:E / IR-Spectra (2), 849:A / NMR-Reference 2 (2), 208:D / RegBook 1 (2), 1803:N / Structure Index 1 , 288:E:6
  • Merck 14 ,7477
  • [1]. Schalk M, et al, Werck-Reichhart D. Piperonylic acid, a selective, mechanism-based inactivator of the trans-cinnamate 4-hydroxylase: A new tool to control the flux of metabolites in the phenylpropanoid pathway. Plant Physiol. 1998;118(1):209‐218.

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xn Xn,Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSDF4912765
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。
  • 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+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
Signal word Danger
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;
  • S36/37/39 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
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Warnings IRRITANT
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 196,478,1976

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

  • Alfa Aesar:胡椒酸,98+% Piperonylic acid, 98+%(94-53-1)
  • 图谱信息:胡椒酸(94-53-1)Raman光谱 胡椒酸(94-53-1)核磁图( 13 CNMR) 胡椒酸(94-53-1)质谱(MS) 胡椒酸(94-53-1)红外图谱(IR2) 胡椒酸(94-53-1)红外图谱(IR1) 胡椒酸(94-53-1)核磁图( 1 HNMR)
  • 检测方法:HPLC,NMR
  • MOL 文件:94-53-1.mol
  • Acros Organics:胡椒基酸 Piperonylic acid, 99%(94-53-1)
  • 上游原料:氢氧化钾 --> 高锰酸钾 --> 胡椒醛
  • MSDS 信息:Piperonylic acid(94-53-1).msds
  • 用途一:有机合成中间体。
  • TCI Shanghai:3,4-亚甲二氧基苯甲酸 Piperonylic Acid,>;98.0%(GC)(T)(94-53-1)
  • 海关编码:29329970
  • 胡椒酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0459 胡椒酸 Piperonylic Acid 25G 720元 2010/06/21 131371000 胡椒酸 Piperonylic acid 99% 100 GR 3651元 2010/06/21 131370250 胡椒酸 Piperonylic acid 99% 25 GR 2045元
  • Sigma Aldrich:94-53-1(sigmaaldrich)
  • 方法一:胡椒醛用高锰酸钾在70-80℃氧化,以90-96%的产率得到胡椒基酸。
  • Hazard Note:Irritant

系列性分类


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