| Chemical & Physical Properties | |
|---|---|
| CAS Number | 65322-85-2 |
| Catalog No. | 2A-3175272 |
| Chinese Name | 3-(4-异丁基苯基)丙酸 |
| Synonyms | 3-[4-(2-methylpropyl)phenyl]propanoic acid |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.28 |
| Density | 1.034 g/cm3 |
| Boiling Point | 327.445ºC at 760 mmHg |
| Appearance | Off-white or beige powder |
| Storage Condition | room temperature, dry |
| Application | Ibuprofen Impurity F is the impurity of Ibuprofen. Ibuprofen is an inhibitor of COX-1 and COX-2, with IC50 values of 13 μM and 370 μM respectively, and has anti-inflammatory activity. |
| HTC | 2916399090 |
| SMILES | OC(=O)CCc1ccc(cc1)CC(C)C |
| InChI | 1S/C13H18O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15) |
| InChI Key | DYNVRFFVBZVRND-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/175695_1_65322_85_2.pdf |
| Use of | Ibuprofen Impurity F is an Ibuprofen impurity. Ibuprofen is an anti-inflammatory inhibitor targeting COX-1 and COX-2 with IC50s of 13 μM and 370 μM, respectively[1]. Properties Name 3-(4-Isobutylphenyl)propanoic acid Synonym More Synonyms Ibuprofen Impurity F Biological Activity Description Ibuprofen Impurity F is an Ibuprofen impurity. Ibuprofen is an anti-inflammatory inhibitor targeting COX-1 and COX-2 with IC50s of 13 μM and 370 μM, respectively[1]. Related Catalog Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> COX References [1]. Noreen Y, et al. Development of a radiochemical cyclooxygenase-1 and -2 in vitro assay for identification of natural products as inhibitors of prostaglandin biosynthesis. J Nat Prod. 1998 Jan;61(1):2-7. Chemical & Physical Properties Molecular Formula C13H18O2 Exact Mass 206.13100 PSA 37.30000 LogP 2.90230 InChIKey DYNVRFFVBZVRND-UHFFFAOYSA-N Safety Information Hazard Codes Xi HS Code 2916399090 Precursor & DownStream Precursor 10 CAS#:201230-82-2 carbon monoxide CAS#:132464-91-6 1-ethynyl-4-iso... CAS#:63444-56-4 p-Isobutylstyrene CAS#:40150-92-3 1-(4-Isobutylph... DownStream 1 CAS#:230287-81-7 3-(4-ISOBUTYL-P... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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