2-[4-(1-Methylpropyl)phenyl]propanoic acid

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2-[4-(1-Methylpropyl)phenyl]propanoic acid Basic information
Product Name:2-[4-(1-Methylpropyl)phenyl]propanoic acid
Synonyms:Imp. O (EP): 2-[4-(1-Methylpropyl)-phenyl]propanoic Acid;IBuprofen Impurity 15;Ibuprofen EP Impurity O;2-(p-sec-Butylphenyl)propionic Acid;IBUPROFEN IMPURITY O;lbuprofen?impurity;α-(4'-sec.Butyl-phenyl)-propionsaeure;2-(p-sec-Butylphenyl)propionic Acid (Ibuprofen EP Impurity O)
CAS:64451-76-9
MF:C13H18O2
MW:206.28
EINECS:
Product Categories:
Mol File:Mol File
2-[4-(1-Methylpropyl)phenyl]propanoic acid Structure
2-[4-(1-Methylpropyl)phenyl]propanoic acid 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)
pka4.41±0.10(Predicted)
form Solid
color White to Off-White
Major Applicationpharmaceutical
InChIInChI=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)
InChIKeyOWMZINYEXURWLF-UHFFFAOYSA-N
SMILESC(O)(=O)C(C1=CC=C(C(C)CC)C=C1)C
Safety Information
WGK Germany WGK 3
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
2-[4-(1-Methylpropyl)phenyl]propanoic acid Usage And Synthesis
Uses2-(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.
2-[4-(1-Methylpropyl)phenyl]propanoic acid Preparation Products And Raw materials
Tag:2-[4-(1-Methylpropyl)phenyl]propanoic acid(64451-76-9) Related Product Information
6-isobutyl-3-methyl-2,3-dihydro-1H-inden-1-one Ibuprofen Ibuprofen Related Compound C Ibuprofen Impurity 59 rac a-Hydroxy Ibuprofen rac-Ibuprofen amide p-Isobutylstyrene Ibuprofen EP Impurity I (R)-(-)-IBUPROFEN 4-(2-Methylpropyl)benzeneethanol rac 2-Hydroxy Ibuprofen 4'-(2-Methylpropyl)acetophenone 2-(4-Methylphenyl)propanoic acid 2-[4-(2-Methylpropyl)phenyl] ethanol Ibuprofen Ethyl Ester (2RS)-2-(4-Formylphenyl)propanoic acid 3-(4-Isobutyl-phenyl)-propionic acid (2RS)-2-(4-Butylphenyl)propanoic acid