2-[4-(1-METHYLPROPYL)PHENYL]PROPANOIC ACID , 90%+ , 64451-76-9

CAS NO.：64451-76-9

Empirical Formula: C13H18O2

Molecular Weight: 206.28

MDL number: MFCD08275593

PRODUCT 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)
• pka: 4.41±0.10(Predicted)
• form: Solid
• 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

Description and Uses

2-(p-sec-Butylphenyl)propionic Acid (Ibuprofen EP Impurity O) is an impurity of Ibuprofen (I140000); a selective cyclooxygenase inhibitor (IC50=14.9uM) that inhibits PGH synthase-1 and PGH synthase-2 with comparable potency.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P305+P351+P338
• target organs: Respiratory system
• WGK Germany: WGK 3
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Irrit. 2; Skin Irrit. 2; STOT SE 3