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34222

Supelco

4-Isopropylthioxanthone

PESTANAL®, analytical standard

Synonym(s):

4-Isopropyl-thioxanthene-9-one

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About This Item

Empirical Formula (Hill Notation):
C16H14OS
CAS Number:
Molecular Weight:
254.35
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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.

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Legal Information

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

Pictograms

Health hazardEnvironment

Signal Word

Warning

Hazard Statements

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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