2-Tert-Butylpropane-1,3-Diol 2-叔-丁基丙烷-1,3-二醇

CAS 2819-05-8 MFCD01075745

化学结构图

2819-05-8
SMILES: CC(C)(C)C(CO)CO

化学属性

Mol. FormulaC7H16O2
Mol. Weight132.20
Melting Point54-56°
TSCANo
Boiling Point100-102°/2mm

别名和识别编码

Chemical Name2-Tert-Butylpropane-1,3-Diol
MDL NumberMFCD01075745
CAS Number2819-05-8
Synonym 2-Tert-butylpropane-1,3-diol {LY} 2-Tert-butylpropane-1,3-diol {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {} {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Tert-butylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Tert-butylpropane-1,3-d
EC Number000-000-0
Beilstein Registry Number1900687
Chemical Name Translation2-叔-丁基丙烷-1,3-二醇
InChIKeyLQPVVSDKTCYYBZ-UHFFFAOYSA-N
LabNetwork Molecule IDLN02143935
PubChem Substance ID100226
InChIInChI=1S/C7H16O2/c1-7(2,3)6(4-8)5-9/h6,8-9H,4-5H2,1-3H3
Canonical SMILESCC(C)(C)C(CO)CO
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安全信息

RTECSTY3540020 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >280 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - smooth muscle relaxant (mechanism undefined,
   spasmolytic)
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 12,462,1969

Storage condition

系列性分类

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