2-イソプロピルチオキサントン

2-Isopropylthioxanthone

HCID 79633CAS 5495-84-1
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(C)c1ccc2sc3ccccc3c(=O)c2c1
InChIKey
KTALPKYXQZGAEG-UHFFFAOYSA-N
分子式
C16H14OS
平均分子量
254.3 g/mol
単同位体質量
254.07653607

概要

structure in first source

名称と識別子

優先名称
2-Isopropylthioxanthone
IUPAC
2-propan-2-ylthioxanthen-9-one
現地名
2-イソプロピルチオキサントン
英語名
2-Isopropylthioxanthone
分子式
C16H14OS
分子量
254.35

名称と別名

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
名称をさらに表示
2-イソプロピルチオキサントンクアンタクレ597クアンタクレ659クアンタクレITXスピードクレITX2-イソプロピル-9H-チオキサンテン-9-オン2-イソプロピルチオキサンテン-9-オンイソプロピルチオキサントン2-イソプロピルチオキサントン (ITX) STAITXRD2-イソプロピルチオキサントン (ITX) StaITXrd, 1000 µg/mL in Isooctane2-(プロパン-2-イル)-9H-チオキサンテン-9-オンITXOMNIRAD ITXPhotoinitiator ITX2-IsopropylthioxanthonISOPROPYLTHIOXANTHONE2-isopropyithioxanthonePhotocure-Itx2-isopropylthioxantone
2-Isopropyl Thioxanthone2-Isopropyltioxanthone2-propan-2-ylthioxanthen-9-one2-Isopropylthioxanthen-9-one54958-41-7MFCD00055658Quantacure itxSpeedcure ITX

データベース識別子

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

物性

構造計算による物性

XLogP
5.1
極性表面積
42.4 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
1
重原子数
18

実験および物理化学的性質

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]

物理化学的性質

融点
76 °C · 76 °C
沸点
398.9 · 398.9±32.0 °C(Predicted)
比重(密度)
1.199 · 1.199±0.06 g/cm3(Predicted)
蒸気圧
0 Pa · 0Pa at 20℃
闪点
210 °C · 210 °C
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性2-Isopropylthioxanthone is light yellow solid with general solubility, effective at low concentration. The absorption wavelength is 250~400nm.

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 5 件

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%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29349990
risk_code
22
hazard_code
Xn
safety_code
20/21-58

化学と産業

用途と製造

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

Synthetic Dye and Pigment Manufacturing

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

応用分野 · 3 件

説明2-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).

使用2-Isopropylthioxanthone is a thioxanthone derivative useful as photoinitiators.

一般的な説明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.

上流・下流製品情報

サプライヤー50 社

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]

補足説明

定義本品は、次の化学式で表される有機化合物である。

関連反応

3 件
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