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Butyl p-toluenesulfonate Structure

Butyl p-toluenesulfonate

Chemical Properties

Boiling point 170-172 °C (10 mmHg)
Density  1.12
vapor pressure  0.031Pa at 25℃
refractive index  1.503-1.505
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform (Slightly), DMSO (Sparingly)
form  Liquid
color  Clear light yellow to brownish
Water Solubility  44.9mg/L at 20℃
InChI InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey QYJXDIUNDMRLAO-UHFFFAOYSA-N
SMILES C1(S(OCCCC)(=O)=O)=CC=C(C)C=C1
LogP 2.8 at 20℃
CAS DataBase Reference 778-28-9(CAS DataBase Reference)
EPA Substance Registry System Benzenesulfonic acid, 4-methyl-, butyl ester (778-28-9)

Safety Information

Hazard Codes  Xn
Risk Statements  36/37/38-22
Safety Statements  37/39-26
RTECS  XT6400000
TSCA  TSCA listed
HS Code  29041000

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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