Ibuprofen
SIGMA/I110
Synonym: α-Methyl-4-(isobutyl)phenylacetic acid; (±)
CAS Number: 15687-27-1
Empirical Formula (Hill Notation): C13H18O2
Molecular Weight: 206.28
EC Number: 239-784-6
MDL Number: MFCD00010393
Linear Formula: C13H18O2
Product Type: Chemical
| application(s) | forensics and toxicology pharmaceutical (small molecule) |
| assay | ≥98% (HPLC) |
| color | white to off-white |
| format | neat |
| InChI | 1S/C13H18O2/c1-9(2)8-11-4 |
| InChI key | HEFNNWSXXWATRW-UHFFFAOYSA |
| Quality Level | 100  |
| SMILES string | CC(C)Cc1ccc(cc1)C(C)C(O)= |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable |
| Application: | Ibuprofen has been used as a test compound in studying its removal from aqueous solutions via adsorption on titanium dioxide based multi-walled carbon nanotube membranes. It is also used as an external reference standard in order to validate the purity of the macro-cyclic peptides, an emerging therapeutic drug modality, using nuclear magnetic resonance technique (NMR). |
| Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| Biochem/physiol Actions: | Cyclooxygenase (COX) inhibitor that has greater activity against COX-1 than against COX-2. |
| General description: | Ibuprofen is a non-steroidal and anti-inflammatory drug, which finds a variety of therapeutic applications in relieving pain and inflammatory disorders. |
| Other Notes: | Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial . |
| Packaging: | 1, 5 g in poly bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 - H319 - H335 |
| Precautionary statements | P261 - P264 - P270 - P271 - P301 + P312 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Purity | ≥98% (HPLC) |
| UNSPSC | 41116107 |