34222

4-Isopropylthioxanthone

PESTANAL^®, analytical standard

• Synonym(s): 4-Isopropyl-thioxanthene-9-one
• Empirical Formula (Hill Notation): C₁₆H₁₄OS
• CAS Number: 83846-86-0
• Molecular Weight: 254.35
• NACRES: NA.24
• PubChem Substance ID: 329754907
• UNSPSC Code: 41116107
• EC Number: 281-065-4
• MDL number: MFCD00192247

Properties

• grade: analytical standard
• Quality Segment: 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

Description

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).[1] It may be used as an analytical standard for the determination of the analyte in milk,[2] 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.

Other Notes

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

Safety Information

• pictograms: GHS08,GHS09
• signalword: Warning
• hcodes: H361f,H410
• pcodes: P202 - P273 - P280 - P308 + P313 - P391 - P405
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 2
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Faceshields, Gloves