I110

Ibuprofen

• Synonym(s): α-Methyl-4-(isobutyl)phenylacetic acid, (±)-2-(4-Isobutylphenyl)propanoic acid
• Empirical Formula (Hill Notation): C₁₃H₁₈O₂
• CAS Number: 15687-27-1
• Molecular Weight: 206.28
• NACRES: NA.24
• PubChem Substance ID: 329815343
• UNSPSC Code: 41116107
• EC Number: 239-784-6
• MDL number: MFCD00010393

Properties

• InChI key: HEFNNWSXXWATRW-UHFFFAOYSA-N
• InChI: 1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
• SMILES string: CC(C)Cc1ccc(cc1)C(C)C(O)=O
• assay: ≥98% (HPLC)
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• color: white to off-white
• application(s): forensics and toxicology; pharmaceutical (small molecule)
• format: neat
• Quality Level: 100
• Gene Information: human ... PTGS1(5742), PTGS2(5743)

Description

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.[1] 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).[2]

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,[3] which finds a variety of therapeutic applications in relieving pain and inflammatory disorders.[4]

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P301 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk: WGK 1
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves