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2,4,5-Trimethylbenzoic acid Structure

2,4,5-Trimethylbenzoic acid

Chemical Properties

Melting point 150-153 °C (lit.)
Boiling point 288.61°C (estimate)
Density  1.0670 (estimate)
refractive index  1.5198 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 4.24±0.25(Predicted)
color  White to Almost white
InChI InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChIKey QENJZWZWAWWESF-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(C)=C(C)C=C1C
CAS DataBase Reference 528-90-5(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 2,4,5-trimethyl-(528-90-5)
EPA Substance Registry System 2,4,5-Trimethylbenzoic acid (528-90-5)

Safety Information

Hazard Codes  Xi
Safety Statements  24/25
WGK Germany  3
RTECS  DI0887000
HazardClass  IRRITANT
HS Code  29163990
Storage Class 13 - Non Combustible Solids

MSDS

Usage And Synthesis

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