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32496

Supelco

1-Hydroxyibuprofen

VETRANAL®, analytical standard

Synonym(s):

2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propionic acid

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About This Item

Empirical Formula (Hill Notation):
C13H18O3
CAS Number:
53949-53-4
Molecular Weight:
222.28
Beilstein/REAXYS Number:
22307543
MDL number:
MFCD08275586
UNSPSC Code:
41116107
PubChem Substance ID:
329754248
NACRES:
NA.24

grade

analytical standard

Quality Level

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

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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

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.

Legal Information

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

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH4606
BCCG2176
BCCC7381
BCBZ6937
BCBT4305

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Behaviour of nonsteroidal anti-inflammatory drugs and eight of their metabolites during wastewater treatment studied by hollow fibre liquid phase microextraction and liquid chromatography mass spectrometry.
Larsson E, et al.
The Science of the Total Environment, 485, 300-308 (2014)
Ultrasound-assisted emulsification microextraction combined with ultra-high performance liquid chromatography-tandem mass spectrometry for the analysis of ibuprofen and its metabolites in human urine.
Magiera S and Gulmez S
Journal of Pharmaceutical and Biomedical Analysis, 92, 193-202 (2014)
Innovative combination of QuEChERS extraction with on-line solid-phase extract purification and pre-concentration, followed by liquid chromatography-tandem mass spectrometry for the determination of non-steroidal anti-inflammatory drugs and their metabolites in sewage sludge.
Rossini D, et al.
Analytica Chimica Acta, 935, 269-281 (2016)
Aleksandar Lolić et al.
The Science of the total environment, 508, 240-250 (2014-12-08)
The occurrence of seven pharmaceuticals and two metabolites belonging to non-steroidal anti-inflammatory drugs and analgesics therapeutic classes was studied in seawaters. A total of 101 samples covering fourteen beaches and five cities were evaluated in order to assess the spatial

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