2-Isopropylthioxanthone

Inquiry

Molecular Formula:

C16H14OS

Molecular Weight:

254.35

CAS Number:

5495-84-1

Catalog Number:

5495-84-1

Product Information

Molecular Formula:

C16H14OS

Molecular Weight:

254.35

Description

2-Isopropylthioxanthone is used as a photoinitiator for UV-curable coatings.

Synonyms

2-Isopropyl Thioxanthone; 2-Isopropyl-thioxanthen-9-one; 9H-Thioxanthen-9-one, 2-(1-methylethyl)-; 2-(1-Methylethyl)-9H-thioxanthen-9-one; Thioxanthen-9-one, 2-isopropyl-; 2-Isopropyl-9H-thioxanthen-9-one; 2-Isopropylthioxanthen-9-one; 2-Isopropylthioxanthenone; 2-ITX; Gencure ITX; GR-ITX; ITX; JRCure ITX; Lunacure 2ITX; Omnirad ITX; Photocure ITX-P; PI-ITX; Quantacure 597; Quantacure 659; Quantacure ITX; Speedcure 2ITX; Speedcure ITX

IUPAC Name

2-propan-2-ylthioxanthen-9-one

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

InChI Key

KTALPKYXQZGAEG-UHFFFAOYSA-N

Boiling Point

398.9±32.0°C at 760 mmHg

Melting Point

75-77°C

Purity

≥95%

Density

1.199±0.06 g/cm3

Solubility

Soluble in DMSO (Slightly), Ethyl Acetate (Slightly)

Appearance

Light yellow to Yellow to Green powder to crystal

Storage

Store at 2-8°C

Safety Information

Hazards

H302:
Harmful if swallowed.

Precautionary Statement

P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

5.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

254.07653624 g/mol

Monoisotopic Mass

254.07653624 g/mol

Topological Polar Surface Area

42.4Å²

Heavy Atom Count

Formal Charge

Complexity

325

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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2-Isopropylthioxanthone

Product Information

Safety Information

Computed Properties

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