32496

1-Hydroxyibuprofen

VETRANAL^®, analytical standard

• Synonym(s): 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propionic acid
• Empirical Formula (Hill Notation): C₁₃H₁₈O₃
• CAS Number: 53949-53-4
• Molecular Weight: 222.28
• UNSPSC Code: 41116107
• NACRES: NA.24
• PubChem Substance ID: 329754248
• MDL number: MFCD08275586
• Beilstein/REAXYS Number: 22307543

Properties

• grade: analytical standard
• Quality Segment: 100
• product line: VETRANAL^®
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• application(s): forensics and toxicology; pharmaceutical (small molecule)
• format: neat
• SMILES string: CC(C)C(O)c1ccc(cc1)C(C)C(O)=O
• InChI: 1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)
• InChI key: RMOQYHYFRKTDRI-UHFFFAOYSA-N

Description

General description

1-Hydroxyibuprofen is one of the metabolites of ibuprofen, which is classified under the non-steroidal anti-inflammatory drugs (NSAIDs) group of compounds.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

1-Hydroxyibuprofen has been used as an analytical reference standard for the determination of the analyte in:

• Sewage sludge samples by QuEChERS (quick, easy, cheap, effective, rugged and safe) extraction with on-line solid-phase extract purification and pre-concentration, followed by analysis using liquid chromatography coupled to electrospray ionization-tandem mass spectrometry (LC-ESI-MS/MS) operating in multiple reaction monitoring (MRM) mode of detection.

It may be used as an analytical reference standard for the determination of the analyte in:

• Human urine samples by ultrasound-assisted emulsification microextraction (USAEME) and ultra-high performance liquid chromatography (UHPLC) with (ESI-MS/MS) with (MRM) detection.
• Wastewater samples by hollow fiber liquid phase microextraction (HF-LPME) followed by LC-ESI-MS/MS.

Legal Information

VETRANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3