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Name	2-Isopropylthioxanthone	EINECS	226-827-9
CAS No.	5495-84-1	Density	1.199 g/cm³
PSA	45.31000	LogP	4.53810
Solubility	340μg/L at 20℃	Melting Point	76 °C
Formula	C₁₆H₁₄OS	Boiling Point	398.9 °C at 760 mmHg
Molecular Weight	254.353	Flash Point	217 °C
Transport Information	N/A	Appearance	Slightly yellow crystalline powder
Safety	22	Risk Codes	22
Molecular Structure		Hazard Symbols	Xn
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;	Article Data	14

2-Isopropylthioxanthone Synthetic route

: 98-82-8
Isopropylbenzene

: 119-80-2
2,2'-dithiobenzoic acid

: 5495-84-1
2-isopropyl-9H-thioxanthen-9-one

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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;

...Expand

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

: 5495-84-1
2-isopropyl-9H-thioxanthen-9-one

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With Oxone In methanol; water Heating / reflux;	82%

: 5495-84-1
2-isopropyl-9H-thioxanthen-9-one

: 482662-60-2
2-isopropylthioxanthone sulphoxide

Conditions

Conditions	Yield
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

Conditions	Yield
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

2-Isopropylthioxanthone Chemical Properties

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/cm³Index 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

2-Isopropylthioxanthone 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.

2-Isopropylthioxanthone Safety Profile

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

2-Isopropylthioxanthone Specification

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

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