3-(3-HYDROXYPHENYL)PROPIONIC ACID 3-(3-羟基苯基)丙酸

CAS 621-54-5 MFCD00016554

化学结构图

621-54-5
SMILES: O=C(O)CCc1cccc(O)c1

化学属性

Mol. FormulaC9H10O3
Mol. Weight166.17
Density1.422
Melting Point111°C
TSCANo
Appearance 类白色至白色结晶。
Boiling Point354.5°C at 760 mmHg

别名和识别编码

Chemical Name3-(3-HYDROXYPHENYL)PROPIONIC ACID
MDL NumberMFCD00016554
CAS Number621-54-5
EC Number210-692-8
Beilstein Registry Number1947445
Synonym 3-(3-Hydroxyphenyl)propionic acid {LY} 3-(3-Hydroxyphenyl)propionic acid {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {
Chemical Name Translation3-(3-羟基苯基)丙酸
LabNetwork Molecule IDLN00220816
PubChem Substance ID91
InChIInChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
Canonical SMILESO=C(O)CCC1=CC=CC(O)=C1
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相关文献及参考

  • [1]. Iveta Najmanová, et al. Flavonoid metabolite 3‐(3‐hydroxyphenyl)propionic acid formed by human microflora decreases arterial blood pressure in rats. Wiley Online Library. Volume60, Issue5. May 2016.

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
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
  • 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。
  • P305+P351+P338
RTECSMW5340000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 24,325,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 308 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 24,325,1982

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • MOL 文件:621-54-5.mol
  • 下游产品:DL-间酪氨酸
  • 图谱信息:3-(3-羟基苯基)丙酸 (621-54-5)红外图谱(IR2) 3-(3-羟基苯基)丙酸 (621-54-5)红外图谱(IR1) 3-(3-羟基苯基)丙酸 (621-54-5)质谱(MS)
  • Alfa Aesar:3-(3-羟基苯基)丙酸,98+% 3-(3-Hydroxyphenyl)propionic acid, 98+%(621-54-5)
  • 上游原料:乙醇 --> 盐酸 --> 乙醚 --> 苯 --> 吡啶 --> 钯 --> 氢 --> 六氢吡啶 --> 丙二酸 --> 1,4-氧氮六环 --> 间羟基苯甲醛

系列性分类


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