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2-Methylphenylacetic acid Structure

2-Methylphenylacetic acid

Chemical Properties

Melting point 88-90 °C (lit.)
Boiling point 211.72°C (rough estimate)
Density  0.9820 (rough estimate)
refractive index  1.5470 (estimate)
storage temp.  Sealed in dry,Room Temperature
pka pK1:4.36 (18°C)
form  Crystalline Powder
color  White to slightly cream
Water Solubility  insoluble
BRN  1936952
InChI InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey RZWGTXHSYZGXKF-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC=CC=C1C
CAS DataBase Reference 644-36-0(CAS DataBase Reference)
FDA UNII TJ4YXB9N7P
NIST Chemistry Reference O-tolylacetic acid(644-36-0)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  1
HazardClass  IRRITANT
HS Code  29163900
NFPA 704:
1
2 0

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