32496

1-Hydroxyibuprofen

VETRANAL^®, analytical standard

• Synonyme(s) : 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propionic acid
• Formule empirique (notation de Hill): C₁₃H₁₈O₃
• Numéro CAS: 53949-53-4
• Poids moléculaire : 222.28
• Numéro Beilstein : 22307543
• Numéro MDL: MFCD08275586
• Code UNSPSC : 41116107
• ID de substance PubChem : 329754248
• Nomenclature NACRES : NA.24

Propriétés

• Qualité: analytical standard
• Niveau de qualité: 100
• Gamme de produits: VETRANAL^®
• Durée de conservation: 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
• Chaîne SMILES: 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)
• Clé InChI: RMOQYHYFRKTDRI-UHFFFAOYSA-N

Description

Description générale

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

Application

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.

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

Informations légales

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

Informations sur la sécurité

• Pictogrammes: GHS07
• Mention d'avertissement: Warning
• Mentions de danger: H302
• Conseils de prudence: P264 - P270 - P301 + P312 - P501
• Classification des risques: Acute Tox. 4 Oral
• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3