ACETIC ACID, (4-BUTOXY-m-TOLYL)-

CAS 4547-59-5 MFCD N/A

化学结构图

4547-59-5
SMILES: CCCCOc1ccc(CC(=O)O)cc1C

化学属性

Mol. Weight222.31
Mol. FormulaC13H18O3

别名和识别编码

Wiswesser Line NotationQV1R C1 DO4
Chemical NameAcetic acid, (4-butoxy-m-tolyl)-
Synonym (p-Butoxy)-m-tolylacetic acid
Beilstein Registry Number2650758
CAS Number4547-59-5
InChIKeyBRBTWQMWSVOGOW-UHFFFAOYSA-N
PubChem Substance ID20675
InChIInChI=1S/C13H18O3/c1-3-4-7-16-12-6-5-11(8-10(12)2)9-13(14)15/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,15)
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安全信息

RTECSAF7100000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2050 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New
   York, NY)  V.1-3, 1964-72.  Discontinued.  Volume(issue)/page/year:
   2,32,1970

系列性分类

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