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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;2-[4-(1-METHYLPROPYL)PHENYL]PROPANOIC ACID;IBUPROFEN IMPURITY O;lbuprofen?impurity;α-(4'-sec.Butyl-phenyl)-propionsaeure | | CAS: | 64451-76-9 | | MF: | C13H18O2 | | MW: | 206.28 | | EINECS: | | | Product Categories: | | | Mol File: | Mol File | ![2-[4-(1-METHYLPROPYL)PHENYL]PROPANOIC ACID Structure](StructureFile/ChemBookStructure9/GIF/CB6732396.gif) |
| | 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) | | 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 |
| WGK Germany | WGK 3 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| | 2-[4-(1-METHYLPROPYL)PHENYL]PROPANOIC ACID Usage And Synthesis |
| 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. |
| | 2-[4-(1-METHYLPROPYL)PHENYL]PROPANOIC ACID Preparation Products And Raw materials |
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