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Ibuprofen · CAS 58560-75-1 · C13H18O2. UNII WK2XYI10QM. Boiling Point: 157; Melting Point: 75-77.5 ºC; Melting Point: 75-77 °C.
| CAS Registry Number | 58560-75-1 |
|---|---|
| PubChem CID | 3672 |
| Molecular formula | C13H18O2 |
| IUPAC name | 2-[4-(2-methylpropyl)phenyl]propanoic acid |
| UNII (FDA) | WK2XYI10QM |
| Molecular Weight | 206.28 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 206.130679813 |
| Monoisotopic Mass | 206.130679813 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Boiling Point | 157 |
|---|---|
| Melting Point | 75-77.5 ºC |
| Melting Point | 75-77 °C |
| Melting Point | 76 °C |
| Solubility | 21 |
| Solubility | In water, 21 mg/l @ 25 °C |
| Solubility | 0.021 mg/mL at 25 °C |
| Vapor Pressure | 4.74X10-5 mm Hg @ 25 °C |
| LogP | 3.97 |
| LogP | log Kow= 3.97 |
| Reported hazard statements | H302 (100%), H319 (72%), H335 (70.8%), H361 (17.8%), H360, H362, H371, H373 |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (72%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
58560-75-1; IBUPROFEN, (+-)-; RefChem:6648; ibuprofen; 15687-27-1; 2-(4-Isobutylphenyl)propanoic acid; Brufen; Motrin; Advil; 2-[4-(2-methylpropyl)phenyl]propanoic acid; Medipren; Nurofen; Liptan; Nuprin; Anflagen; Buburone
CAS 58560-75-1; molecular formula C13H18O2; molecular weight — g/mol.
58560-75-1, IBUPROFEN, (+-)-, RefChem:6648, ibuprofen, 15687-27-1, 2-(4-Isobutylphenyl)propanoic acid.
Hazard statements reported: H302, H319, H335, H361, H360.
Boiling Point: 157; Melting Point: 75-77.5 ºC; Melting Point: 75-77 °C; Melting Point: 76 °C.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.