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Supelco

Ibuprofen-d3

analytical standard

Synonym(s):

α-Methyl-d3-4-(isobutyl)phenylacetic acid

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About This Item

Empirical Formula (Hill Notation):
C13D3H15O2
CAS Number:
121662-14-4
Molecular Weight:
209.30
UNSPSC Code:
41116107
NACRES:
NA.24

grade

analytical standard

Quality Level

100

isotopic purity

95 atom % D

Assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

environmental
forensics and toxicology
pharmaceutical (small molecule)

format

neat

mass shift

M+3

SMILES string

[2H]C([2H])([2H])C(C(O)=O)c1ccc(CC(C)C)cc1

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)/i3D3

InChI key

HEFNNWSXXWATRW-HPRDVNIFSA-N

General description

Ibuprofen-d3 is an isotopically labeled compound of ibuprofen, belonging to the class of non-steroidal anti-inflammatory drugs (NSAIDs).

Application

Ibuprofen-d3 has been used as internal standard in the analysis of pharmaceutical residues in river water using high performance liquid chromatography coupled with mass spectrometry (HPLC/MS-MS).
Ibuprofen-d3 has been used as an internal standard in the analysis of pharmaceutical residues in river water using high performance liquid chromatography coupled with mass spectrometry (HPLC/MS-MS). Ibuprofen-d3 may be used as an internal standard for the determination of diclofenac (DCF) in environmental samples using chromatography techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
109M4070V
087M4120V
035M4032V
035M4032V
096M4062V

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Pharmaceutical residues in the river Rhine?results of a one-decade monitoring programme
Sacher F, et al.
Journal of Environmental Monitoring, 10, 664-670 (2008)
Yolanda Picó et al.
The Science of the total environment, 652, 562-572 (2018-10-28)
In arid and semi-arid areas the use of treated wastewater for crop irrigation and other agricultural practices, such as the use of pesticides, increase the number of emerging contaminants (ECs) in crops. Hazards of these practices to human being are
Formation of diclofenac and sulfamethoxazole reversible transformation products in aquifer material under denitrifying conditions: batch experiments
Barbieri M, et al.
The Science of the Total Environment, 426, 256-263 (2012)
Jaime Nivala et al.
The Science of the total environment, 649, 1144-1156 (2018-10-13)
Six pilot-scale treatment wetlands treating municipal wastewater were monitored for classical wastewater parameters and selected Emerging Organic Compounds (EOCs): caffeine (CAF), ibuprofen (IBU), naproxen (NPX), benzotriazole (BTZ), diclofenac (DCL), acesulfame (ACE) and carbamazepine (CBZ) on a weekly basis over the
Paola Valbonesi et al.
The Science of the total environment, 758, 143624-143624 (2020-11-25)
Drinking water quality is a priority issue of the environmental policy agenda, however regulation on Contaminants of Emerging Concern (CECs) is limited. A proposal to revise the Drinking Water Directive has recently been approved (EU Council 2020), which updates the
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