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2,5-Dimethylbenzenesulfonic acid dihydrate Structure

2,5-Dimethylbenzenesulfonic acid dihydrate

Chemical Properties

Melting point 86°C
Boiling point 290.72°C (rough estimate)
Density  1.3286 (rough estimate)
refractive index  1.5081 (estimate)
storage temp.  2-8°C
solubility  Soluble[in water]
Water Solubility  Soluble in water
form  powder to crystal
pka -0.47±0.30(Predicted)
color  White to Light yellow to Light red
Sensitive  Hygroscopic
InChI InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
InChIKey IRLYGRLEBKCYPY-UHFFFAOYSA-N
SMILES C1(S(O)(=O)=O)=CC(C)=CC=C1C
CAS DataBase Reference 609-54-1(CAS DataBase Reference)
EPA Substance Registry System Benzenesulfonic acid, 2,5-dimethyl- (609-54-1)

Safety Information

Hazard Codes  Xi
Risk Statements  36/38
Safety Statements  26
WGK Germany  3
TSCA  TSCA listed
HS Code  2904.10.3700
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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