trans-5-Isopropyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane

CAS 4624-70-8 MFCD01730272

化学结构图

4624-70-8
SMILES: COC(C)C1(C(C)C)COC(C)OC1

化学属性

Mol. FormulaC11H22O3
Mol. Weight202.33

别名和识别编码

Chemical Namem-Dioxane, 5-isopropyl-5-(1-methoxyethyl)-2-methyl-, (E)-
InChIKeyIXESRTVHFFPTLQ-UHFFFAOYSA-N
Synonym 1,3-Dioxane, 5-(1-methoxyethyl)-2-methyl-5-(1-methylethyl)- trans-5-Isopropyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane
Wiswesser Line NotationT6O COTJ B1 EY1&O1 EY1&1
CAS Number4624-70-8
PubChem Substance ID199634
InChIInChI=1S/C11H22O3/c1-8(2)11(9(3)12-5)6-13-10(4)14-7-11/h8-10H,6-7H2,1-5H3
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安全信息

RTECSJH1925130 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - smooth muscle relaxant (mechanism undefined,
   spasmolytic)
   Behavioral - somnolence (general depressed activity)
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 2,475,1968

系列性分类

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