3-Phenoxy-1,2-propanediol 3-苯氧基-1,2-丙二醇

CAS 538-43-2 MFCD00004717

化学结构图

538-43-2
SMILES: OCC(O)COc1ccccc1

化学属性

Mol. FormulaC9H12O3
Mol. Weight168.19
Boiling Point315 °C at 760 mmHg
Melting Point54-57 °C
Flash Point>110°(230°F)
TSCANo
Density1.422
Appearance 白色结晶。熔点50-52℃;沸点315℃,129-142℃(0.08千帕)。溶于水、醇。

别名和识别编码

Chemical Name3-Phenoxy-1,2-propanediol
MDL NumberMFCD00004717
CAS Number538-43-2
PubChem Substance ID10857
EC Number208-692-8
Synonym 3-Phenoxypropane-1,2-diol {LY} 3-Phenoxypropane-1,2-diol {} {LY} 3-Phenoxypropane-1,2-diol {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {} {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenoxypropane-1,2-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Pheno
Beilstein Registry Number1869155
Reaxys-RN1869155
Merck Number7290
Chemical Name Translation3-苯氧基-1,2-丙二醇
Wiswesser Line NotationQ1YQ1OR
LabNetwork Molecule IDLN00223389
InChIInChI=1S/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
Canonical SMILESOCC(O)COC1=CC=CC=C1
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安全信息

WGK Germany3
RTECSTZ1050000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 920 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - smooth muscle relaxant (mechanism undefined,
   spasmolytic

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,16,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1240 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - other changes
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: 93,470,1948

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2650 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - altered sleep time (including change in righting reflex)
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 8,477,1949

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:538-43-2.mol
  • Acros Organics:3-Phenoxy-1,2-propanediol, 95%(538-43-2)
  • MSDS 信息:3-Phenoxy-1,2-propanediol(538-43-2).msds
  • 上游原料:3-氯-1,2-丙二醇
  • 图谱信息:3-苯氧基-1,2-丙二醇(538-43-2)质谱(MS) 3-苯氧基-1,2-丙二醇(538-43-2)核磁图( 1 HNMR) 3-苯氧基-1,2-丙二醇(538-43-2)核磁图( 13 CNMR)
  • 方法一:由苯酚和3-氯-1,2-丙二醇反应得到。
  • 用途一:有机合成中间体。
  • Alfa Aesar:3-苯氧基-1,2-丙二醇,98% 3-Phenoxy-1,2-propanediol, 98%(538-43-2)
  • Sigma Aldrich:538-43-2(sigmaaldrich)
  • 3-苯氧基-1,2-丙二醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P1335 3-苯氧基-1,2-丙二醇 3-Phenoxy-1,2-propanediol 5G 273元 2014/06/02 P1335 3-苯氧基-1,2-丙二醇 3-Phenoxy-1,2-propanediol 25G 824元 2010/06/21 303760250 3-苯氧基-1,2-丙二醇 3-Phenoxy-1,2-propanediol 95% 25 GR 903元
  • TCI Shanghai:3-苯氧基-1,2-丙二醇 3-Phenoxy-1,2-propanediol,>;95.0%(GC)(538-43-2)

系列性分类


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