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5495-84-1

Basic Information
CAS No.: 5495-84-1
Name: 9H-Thioxanthen-9-one,2-(1-methylethyl)-
Article Data: 14
Cas Database
Molecular Structure:
Molecular Structure of 5495-84-1 (9H-Thioxanthen-9-one,2-(1-methylethyl)-)
Formula: C16H14OS
Molecular Weight: 254.353
Synonyms: Thioxanthen-9-one,2-isopropyl- (7CI,8CI);2-ITX;2-Isopropyl-9H-thioxanthen-2-one;2-Isopropylthioxanthen-9-one;ITX;Photocure ITX-P;Quantacure 597;Quantacure 659;Quantacure ITX;Speedcure ITX;
EINECS: 226-827-9
Density: 1.199 g/cm3
Melting Point: 76 °C
Boiling Point: 398.9 °C at 760 mmHg
Flash Point: 217 °C
Solubility: N/A
Appearance: Slightly yellow crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 22
Transport Information: N/A
PSA: 45.31000
LogP: 4.53810
Synthetic route
98-82-8

Isopropylbenzene

119-80-2

2,2'-dithiobenzoic acid

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
With sulfuric acid at 20℃; for 0.5h;99%
With methanesulfonic acid; zinc In chlorobenzene at 115℃;89.5%

2-isopropyl thioxanthene

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 20℃; for 12h; Irradiation;98%
With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 20℃; for 12h; Sealed tube; Irradiation;98%
With potassium hexafluorophosphate; iron(III) nitrate monohydrate; oxygen In acetonitrile at 80℃; for 2h; Reagent/catalyst; Temperature; Concentration;96%
In 1,2-dichloro-ethane at 20℃; for 2h; UV-irradiation;75%
With air In 1,2-dichloro-ethane at 20℃; for 2h; UV-irradiation;75%
5495-75-0

2-(4-isopropylphenylthio)benzoic acid

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
With sulfuric acid In cyclohexane Solvent; Temperature; Reflux;91%
98-82-8

Isopropylbenzene

3950-02-5

2-chlorosulfenylbenzoyl chloride

A

4-isopropylthioxanthone

B

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 0.5h; Product distribution / selectivity; Friedel Crafts Acylation;A 9.8%
B 88.2%
aluminum (III) chloride In 1,2-dichloro-ethane at -10 - 25℃; for 1 - 1.25h; Product distribution / selectivity; Friedel Crafts Acylation;A 11.2%
B 76%
98-82-8

Isopropylbenzene

119-80-2

2,2'-dithiobenzoic acid

98-07-7

Benzotrichlorid

A

4-isopropylthioxanthone

B

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C

3-isopropylthioxanthone

Conditions
ConditionsYield
Stage #1: 2,2'-dithiobenzoic acid; Benzotrichlorid With iron(III) chloride In chlorobenzene at 100℃; for 1h; Inert atmosphere;
Stage #2: Isopropylbenzene With aluminum (III) chloride In trans-1,2-dichloroethylene at 20℃; for 1h; Inert atmosphere; Overall yield = 32.8 g;

2-chloro-2'-ethoxy-5'-isopropylbenzophenone

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
With copper; sodium carbonate; sulfur In 1,2-dichloro-ethane Solvent; Reagent/catalyst; Reflux;20.8 g

2-chloro-2'-methoxy-5'-isopropylbenzophenone

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions
ConditionsYield
With copper; sulfur; sodium hydroxide In 1,2-dichloro-ethane Solvent; Reagent/catalyst; Reflux;20 g
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

210295-96-8

2-isopropyl-9H-thioxanthen-9-one 10,10-dioxide

Conditions
ConditionsYield
With Oxone In methanol; water Heating / reflux;82%
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

482662-60-2

2-isopropylthioxanthone sulphoxide

Conditions
ConditionsYield
With cerium(IV)diammonium nitrate In water; acetonitrile at 20℃; for 2.5h;52.3%
With ammonium cerium(IV) nitrate In water; acetonitrile at 20℃; for 2.5h;52.3%
With dihydrogen peroxide; trifluoroacetic acid In water at 0 - 23℃; for 12.25h;
5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C29H26OS

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium tetrahydroborate; methanol
2.1: perchloric acid / toluene; water
3.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -84 °C / Sealed tube; Inert atmosphere
3.2: 1 h / 20 °C
View Scheme
Raw Materials
119-80-2
98-82-8
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    ■POLYMER ADDITIVES JADEWIN ITX PHOTO INITIATOR CHEMICAL COMPONENT COMPONENT 2-isopropylthioxanthone CAS 5495-84-1 Molecular C16H14OS M.W 254.08 SPECIFICATION AND PHYSICAL PROPERTIES

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Chemistry

 Following is the structure of 2-Isopropylthioxanthone (CAS NO.5495-84-1):
               
IUPAC Name: 2-Propan-2-ylthioxanthen-9-one
Molecular Formula: C16H14OS
Molecular Weight: 254.346760 g/mol
Appearance: Slightly yellow crystalline powder
EINECS: 226-827-9
Melting Point: 76 °C
Flash Point: 217 °C
Density: 1.199g/cm3
Index of Refraction: 1.638
Molar Refractivity: 76.27 cm3
Molar Volume: 212.1 cm3
Surface Tension: 48 dyne/cm
Enthalpy of Vaporization: 64.95 kJ/mol
Boiling Point: 398.9 °C at 760 mmHg
Vapour Pressure of 2-Isopropylthioxanthone (CAS NO.5495-84-1): 1.43E-06 mmHg at 25°C
Product Categories of 2-Isopropylthioxanthone (CAS NO.5495-84-1): Functional Materials; Photopolymerization Initiators 
Canonical SMILES: CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
InChI: InChI=1S/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3
InChIKey: KTALPKYXQZGAEG-UHFFFAOYSA-N

Uses

 2-Isopropylthioxanthone (CAS NO.5495-84-1) is a Type II photoinitiator, used in combination with tertiary amines, and it is normally used in Screen Inks,  Lithographic Inks, Overprint Varnish, Flexo Inks, Electronics, Wood Coatings. It also finds a major use as a sensitizer to enhance the curing efficiency of UV 907 in dark colors or in thick coatings.

Safety Profile

Safety Information of 2-Isopropylthioxanthone (CAS NO.5495-84-1):
Hazard Codes: Xn
Risk Statements: 22
22: Harmful if swallowed 

Specification

 2-Isopropylthioxanthone , its cas register number is 5495-84-1. It also can be called 2-Isopropyl-9H-thioxanthen-9-one .