34222
4-Isopropylthioxanthone
PESTANAL®, analytical standard
Synonym(s):
4-Isopropyl-thioxanthene-9-one
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All Photos(2)
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
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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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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
Signal Word
Warning
Hazard Statements
Precautionary 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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