2-Isopropylthioxanthone

HCID 79633CAS 5495-84-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)c1ccc2sc3ccccc3c(=O)c2c1
InChIKey
KTALPKYXQZGAEG-UHFFFAOYSA-N
Molecular formula
C16H14OS
Average molar mass
254.3 g/mol
Monoisotopic mass
254.07653607

Overview

structure in first source

Names & identifiers

Preferred name
2-Isopropylthioxanthone
IUPAC
2-propan-2-ylthioxanthen-9-one
English name
2-Isopropylthioxanthone
Molecular formula
C16H14OS
Molecular weight
254.35

Names & synonyms

2-Isopropylthioxanthone5495-84-12-Isopropyl-9H-thioxanthen-9-one2-(propan-2-yl)-9H-thioxanthen-9-one9H-Thioxanthen-9-one, 2-(1-methylethyl)-Isopropyl thioxanthoneDTXSID104469154KUS6SE2TPL-ITXDTXCID9024691RefChem:473931226-827-9
Show more names
ITXOMNIRAD ITXPhotoinitiator ITX2-IsopropylthioxanthonISOPROPYLTHIOXANTHONE2-isopropyithioxanthonePhotocure-Itx2-isopropylthioxantone
2-Isopropyl Thioxanthone2-Isopropyltioxanthone2-propan-2-ylthioxanthen-9-one2-Isopropylthioxanthen-9-one54958-41-7MFCD00055658Quantacure itxSpeedcure ITX

Database identifiers

CAS
5495-84-1
PubChem CID
79633
DTXSID
DTXSID1044691
ChEMBL
CHEMBL3184930
UNII
54KUS6SE2T
EC Number
226-827-9
Nikkaji
J210.557H

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
42.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
18

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLarge Crystals; CBI
Collision Cross Section155.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1044691]

Physicochemical properties

Melting point
76 °C · 76 °C
Boiling point
398.9 · 398.9±32.0 °C(Predicted)
Density
1.199 · 1.199±0.06 g/cm3(Predicted)
vapor pressure
0 Pa · 0Pa at 20℃
Flash point
210 °C · 210 °C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 57.4% (189 of 329) of all reports.

Warning

H302 (17%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 329 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 5 items

Chemical: 9H-Thioxanthen-9-one, 2-(1-methylethyl)-

Regulation (EC) No 1935/2004 (amended)

9H-Thioxanthen-9-one, 2-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9H-Thioxanthen-9-one, 2-(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24945

2-isopropyl-9H-thioxanthen-9-one: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (17%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29349990
risk_code
22
Signal word
Warning

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesPigment
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information · 2 items

Synthetic Dye and Pigment Manufacturing

9H-Thioxanthen-9-one, 2-(1-methylethyl)-: ACTIVE

Applications · 3 items

Description2-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 (370385 nm).

Uses2-Isopropylthioxanthone is a thioxanthone derivative useful as photoinitiators.

General Description2-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.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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