2-イソプロピルチオキサントン
2-Isopropylthioxanthone
基本情報
- CAS
5495-84-1- 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
- 254.07653624
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)-PL-ITXDTXSID104469154KUS6SE2TDTXCID9024691RefChem:473931226-827-9isopropyl thioxanthone
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-oneQuantacure itx54958-41-7MFCD00055658Speedcure 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
- 形式電荷
- 0
- 複雑度
- 325
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
- 溶解性
- DMSO（微量）、酢酸エチル（微量）
- 外見
- Solid
- 色
- 淡黄色～淡黄色
- 水溶解度
- 340 μg/L · 340μg/L at 20℃
- 主な用途
- 環境
- 化粧品成分の機能
- スキンコンディショニング
- 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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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)
REACH registered substance: 2-isopropyl-9H-thioxanthen-9-one (EC: 226-827-9)
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
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Repr. 2
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
Synthetic Dye and Pigment Manufacturing
9H-Thioxanthen-9-one, 2-(1-methylethyl)-: ACTIVE
応用分野
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
下流製品
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
化合物ノート
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