64451-76-9

Name 2-[4-(1-METHYLPROPYL)PHENYL]PROPANOIC ACID
CAS 64451-76-9
Molecular Formula C13H18O2
MDL Number MFCD08275593
Molecular Weight 206.28
MOL File 64451-76-9.mol
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Chemical Properties

Melting point  45 - 50°C
Boiling point  313.2±11.0 °C(Predicted)
density  1.027±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 4.41±0.10(Predicted)
color  White to Off-White
Major Application pharmaceutical
InChI InChI=1S/C13H18O2/c1-4-9(2)11-5-7-12(8-6-11)10(3)13(14)15/h5-10H,4H2,1-3H3,(H,14,15)
InChIKey OWMZINYEXURWLF-UHFFFAOYSA-N
SMILES C(O)(=O)C(C1=CC=C(C(C)CC)C=C1)C

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Spectrum Detail

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