Basic information Structure Safety Supplier Related
ChemicalBook >  Product Catalog >  Analytical Chemistry >  Standard >  Volatile organic compounds (VOCs) >  2-Isopropylthioxanthone

2-Isopropylthioxanthone

Basic information Structure Safety Supplier Related

2-Isopropylthioxanthone Basic information

Product Name:
2-Isopropylthioxanthone
Synonyms:
  • QUANTACURE ITX
  • SPEEDCURE 2-ITX
  • 2-Isopropylthioxanthon
  • Photocure-Itx
  • SPEEDCURE ITX
  • 2-Isopropylthioxanthen-9-one
  • 2-(1-Methylethyl)-
  • Isopropyl Thioxanthone (Mixture of 2 IsoMers and 4 IsoMers)
CAS:
5495-84-1
MF:
C16H14OS
MW:
254.35
EINECS:
226-827-9
Product Categories:
  • Functional Materials
  • Photopolymerization Initiators
  • Aromatics
  • Sulfur & Selenium Compounds
  • bc0001
Mol File:
5495-84-1.mol
More
Less

2-Isopropylthioxanthone Chemical Properties

Melting point:
76 °C
Boiling point:
398.9±32.0 °C(Predicted)
Density 
1.199±0.06 g/cm3(Predicted)
vapor pressure 
0Pa at 20℃
Flash point:
210 °C
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
solubility 
DMSO (Slightly), Ethyl Acetate (Slightly)
form 
Solid
color 
Pale Yellow to Light Yellow
Water Solubility 
340μg/L at 20℃
InChIKey
KTALPKYXQZGAEG-UHFFFAOYSA-N
LogP
5.59 at 20℃
CAS DataBase Reference
5495-84-1(CAS DataBase Reference)
NIST Chemistry Reference
9H-thioxanthen-9-one, 2-(1-methylethyl)-(5495-84-1)
EPA Substance Registry System
9H-Thioxanthen-9-one, 2-(1-methylethyl)- (5495-84-1)
More
Less

Safety Information

Hazard Codes 
Xn
Risk Statements 
22
Safety Statements 
20/21-58
WGK Germany 
3
HS Code 
29349990
More
Less

2-Isopropylthioxanthone Usage And Synthesis

Structure

A view of the molecular structure of the title compound is given in the Figure. The asymmetric unit contains one molecule of the title compound, constructed by the thioxanthone and the isopropyl fragment. The whole thioxanthone is almost planar, with a maximum deviation of 0.042 Å for C10. The bond lengths of C12—S1 and C13—S1 are 1.737(4) and 1.745(4) Å, respectively. The values are intermediate between the double and single bonds. The shortening of the C—S bonds shows the partial double-bond character. Bond lengths and angles are in accord with related structures.

C16H14OS, monoclinic, P21 (no. 4), a = 8.1588(5) Å, b = 7.8670(4) Å, c = 10.2161(5) Å, V = 655.70(6) Å3, Z = 2, Rgt(F) = 0.0539, wRref(F2) = 0.1312, T = 290 K.

Description

2-Isopropylthioxanthone (ITX) has been widely used in many processes, such as printing inks, surface coatings, microelectronics, and photoresists. Nevertheless, it was also widely used in UV curing to promote the polymerization of inks used in paper- or plastic-based packaging materials because of its high photoinitiation efficiency and absorption characteristics at near-UV range (370?385 nm).

Chemical Properties

2-Isopropylthioxanthone is light yellow solid with general solubility, effective at low concentration. The absorption wavelength is 250~400nm.

Uses

2-Isopropylthioxanthone is a thioxanthone derivative useful as photoinitiators.

Application

2-Isopropylthioxanthone has been used as an analytical standard for the determination of the analyte in packaged food materials 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, fruit drinks and packaged beverages by high performance liquid chromatography (HPLC) coupled to MS/MS and micellar electrokinetic chromatography techniques (MEKC).

General Description

2-Isopropylthioxanthone is a compound, which can play the role of a sulfur type photoinitiator in printing industries and UV-cured inks for food packaging materials.

Potential Exposure

Generally, 2-Isopropylthioxanthone (2-ITX) can be transferred from the packaging into the foods by migration. Significant migration of 2-ITX from packaging materials into foodstuff could be detected in 20 % of the samples from the German market investigated, particularly up to 357 μg kg-1 in orange juice and 208 μg kg-1 in baby food. The occurrence of 2-ITX and 2,4-diethylthioxanthone (2,4-DTX) in various food packaging materials, not limited to multilayer cartons, should guide the industry to apply other, less-migrating photo-initiators[1].

References

[1] T Rothenbacher D Fügel, M Baumann. “2-Isopropylthioxanthone (2-ITX) in food and food packaging materials on the German market.” Food additives and contaminants 24 4 (2007): 438–44.

2-IsopropylthioxanthoneSupplier

Chembridge International Corp.(Taipei/Dongguan/Nanjing) Gold
Tel
025-84712192
Email
china@chembridge.net
Suzhou Suosen New Material Technology Co., Ltd. Gold
Tel
18357035212
Email
757514698@qq.com
Tianjin Zhongxin Chemtech Co., Ltd.
Tel
022-66880623
Email
sales@tjzxchem.com
IGM RESINS
Tel
021-52080993 13917193189
Email
selene.wu@igmresins.com
J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Email
jkinfo@jkchemical.com