ChemicalBook--->CAS DataBase List--->5495-84-1

5495-84-1

5495-84-1 Structure

5495-84-1 Structure
IdentificationMore
[Name]

2-Isopropylthioxanthone
[CAS]

5495-84-1
[Synonyms]

2-ISOPROPYLTHIOXANTHONE
ISOPROPYLTHIOXANTHONE
ITX
SPEEDCURE ITX
2-(1-methylethyl)-9h-thioxanthen-9-on
2-(1-methylethyl)-9H-Thioxanthen-9-one
QUANTACURE ITX
SPEEDCURE 2-ITX
2-Isopropylthioxanthon
Photocure-Itx
2-Isopropylthioxanthen-9-one
9H-Thioxanthen-9-one, 2-(1-methylethyl)-
2-isopropylthioxantone
Isopropyl thioxanthone (2 isomer and 4 isomer )
Isopropyl thioxanthone(mixture of 2-and 4-isomers)
ISOPROPYL THIOXANTHONE(2 ISOMER)
2-Isopropylthioxanthone (ITX)
2-ISOPROPYLTHIOXANTHONE 99+%
2-Isopropyl-9H-thioxanthen-9-one
YF-PIITX
[EINECS(EC#)]

226-827-9
[Molecular Formula]

C16H14OS
[MDL Number]

MFCD00055658
[Molecular Weight]

254.35
[MOL File]

5495-84-1.mol
Chemical PropertiesBack Directory
[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℃
[Fp ]

210 °C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Ethyl Acetate (Slightly)
[form ]

neat
[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]

5495-84-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

20/21-58
[WGK Germany ]

3
[HS Code ]

29349990
Hazard InformationBack Directory
[Chemical Properties]

2-Isopropylthioxanthone is light yellow solid
[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.
[Flammability and Explosibility]

Notclassified
Questions And AnswerBack Directory
[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.
2-Isopropylthioxanthone
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.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

5495-84-1(sigmaaldrich)
[TCI AMERICA]

2-Isopropylthioxanthone,>98.0%(GC)(5495-84-1)
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