5-Methylisophthalic acid Structure

5-Methylisophthalic acid

Chemical Properties

Melting point 299-303 °C(lit.)
Boiling point 408.7±33.0 °C(Predicted)
Density  1.377±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  powder to crystal
pka 3.60±0.10(Predicted)
color  White to Light yellow to Green
InChI InChI=1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey PMZBHPUNQNKBOA-UHFFFAOYSA-N
SMILES C1(C(O)=O)=CC(C)=CC(C(O)=O)=C1
CAS DataBase Reference 499-49-0(CAS DataBase Reference)
FDA UNII L828A4V3R6
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37/39
WGK Germany  3
Hazard Note  Irritant
HS Code  29173990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
2 0

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