528-90-5

Name 2,4,5-Trimethylbenzoic acid
CAS 528-90-5
EINECS(EC#) 200-002-4
Molecular Formula C10H12O2
MDL Number MFCD00075863
Molecular Weight 164.2
MOL File 528-90-5.mol
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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 528-90-5(EPA Substance)

Safety Data

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

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