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4-Isopropylthioxanthone

PESTANAL®, analytical standard

Sinónimos:

4-Isopropyl-thioxanthen-9-on

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About This Item

Fórmula empírica (notación de Hill):
C16H14OS
Número de CAS:
83846-86-0
Peso molecular:
254.35
EC Number:
281-065-4
MDL number:
MFCD00192247
UNSPSC Code:
41116107
PubChem Substance ID:
329754907
NACRES:
NA.24

grade

analytical standard

Quality Level

100

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

environmental

format

neat

SMILES string

CC(C)c1cccc2C(=O)c3ccccc3Sc12

InChI

1S/C16H14OS/c1-10(2)11-7-5-8-13-15(17)12-6-3-4-9-14(12)18-16(11)13/h3-10H,1-2H3

InChI key

IKVYHNPVKUNCJM-UHFFFAOYSA-N

General description

A mixture of 4-isopropylthioxanthone and 2-isopropylthioxanthone can be used as photoinitiator in ultraviolet(UV)inks, which finds applications in plastic or paper based packaging materials.

Application

4-Isopropylthioxanthone has been used as an analytical standard for the determination of the analyte in packaged food products using liquid chromatography-tandem mass spectrometry (LC–MS/MS). It may be used as an analytical standard for the determination of the analyte in milk, and fruit drinks by high performance liquid chromatography (HPLC) coupled to MS/MS and micellar electrokinetic chromatography (MEKC) techniques, respectively.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Recommended products

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.

Legal Information

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

pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Warning

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Choose from one of the most recent versions:

Certificados de análisis (COA)

Lot/Batch Number
BCCJ0857
BCBW0720
BCBS2573V
SZBD234XV
SZBB203XV

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Liquid chromatography/tandem mass spectrometry (highly selective selected reaction monitoring) for the analysis of isopropylthioxanthone in packaged food
Gallart-Ayala.H, et al.
Journal of Chromatography A, 1208, 182-188 (2008)
Dispersive liquid-liquid microextraction combined with micellar electrokinetic chromatography for the determination of some photoinitiators in fruit juice
Zhang Y and Jiao B
Food Analytical Methods, 8(4), 973-981 (2015)
Renzo Bagnati et al.
Rapid communications in mass spectrometry : RCM, 21(13), 1998-2002 (2007-05-26)
A fast screening method is presented for detecting isopropylthioxanthone (ITX) contamination in milk. The method is based on direct high-performance liquid chromatography/tandem mass spectrometry (HPLC/MS/MS) analysis of milk samples. Sample preparation is limited to the addition of a deuterated ITX
Héctor Gallart-Ayala et al.
Journal of chromatography. A, 1218(3), 459-466 (2010-12-25)
A fast method of liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) was developed for the analysis of eleven UV ink photoinitiators in packaged food. Chromatographic separation was achieved in a pentafluorophenylpropyl (PFPP) column at 5°C and acetonitrile:25 mM formic

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