1-[2-(2,3-Dihydroxypropoxy)-5-methylphenyl]propan-1-one

CAS 1939-68-0 MFCD N/A

化学结构图

1939-68-0
SMILES: CCC(=O)c1cc(C)ccc1OCC(O)CO

化学属性

Mol. Weight238.31
Mol. FormulaC13H18O4

别名和识别编码

Chemical Name1,2-Propanediol, 3-(o-propionyl-p-tolyoxy)-
Chemicalbook IDCB22136372
Wiswesser Line NotationQ1YQ1OR D1 BV2
Synonym 3-(o-Propionyl-p-tolyloxy)-1,2-propanediol 3-(4-Methyl-3-propionylphenoxy)-1,2-propanediol
Beilstein Registry Number1965369
CAS Number1939-68-0
InChIKeySVLPMMGDCQBQJS-UHFFFAOYSA-N
PubChem Substance ID121554
InChIInChI=1S/C13H18O4/c1-3-12(16)11-6-9(2)4-5-13(11)17-8-10(15)7-14/h4-6,10,14-15H,3,7-8H2,1-2H3
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安全信息

RTECSTZ1114000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 565 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 16,592,1966

系列性分类

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