2-아이소프로필티오크산톤
2-아이소프로필티오크산톤 · 2-아이소프로필티오크산톤(2-ISOPROPYLTHIOXANTHONE) · 아이소프로필티오잔톤 · ITX · 2-Isopropyl-9H-thioxanthen-9-one · OMNIRAD ITX · Photoinitiator ITX · 2-Isopropylthioxanthon
식별자 및 물리적 특성
| CAS No. | 5495-84-1 |
|---|---|
| 분자식 | C16H14OS |
| 평균 분자량 | 254.3 g/mol |
| 단동위원소 질량 | 254.07653607 g/mol |
| SMILES | CC(C)c1ccc2sc3ccccc3c(=O)c2c1 |
| InChIKey | KTALPKYXQZGAEG-UHFFFAOYSA-N |
| PubChem CID | 79633 |
| ChEMBL | CHEMBL3184930 |
| EC No. | 226-827-9 |
| DTXSID | DTXSID1044691 |
| 현지명 | 2-아이소프로필티오크산톤 |
화학 및 물리적 성질
| XLogP | 5.1 |
|---|---|
| 극성 표면적 | 42.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 325 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | Large CrystalsCBI |
| Collision Cross Section | 155.5 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID1044691] |
| 녹는점 | 76 °C |
| 끓는 점 | 398.9±32.0 °C(Predicted) |
| 밀도 | 1.199±0.06 g/cm3(Predicted) |
| 증기압 | 0Pa at 20℃ |
| 인화점 | 210 °C |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 물리적 상태 | Solid |
| 색상 | 연한 노란색에서 밝은 노란색까지 |
| 용해도 | 340μg/L at 20℃ |
| 주요 응용 | 환경 |
| 화장품 원료 기능 | 피부 컨디셔닝 |
| 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 |
| InChIKey | KTALPKYXQZGAEG-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccc2Sc3ccccc3C(=O)c2c1 |
| LogP(분배 계수) | 5.59 at 20℃ |
| NIST | 9H-thioxanthen-9-one, 2-(1-methylethyl)-(5495-84-1) |
| EPA | 9H-Thioxanthen-9-one, 2-(1-methylethyl)- (5495-84-1) |
화학적 성질
2-Isopropylthioxanthone is light yellow solid with general solubility, effective at low concentration. The absorption wavelength is 250~400nm.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 57.4% (189 of 329) of all reports.WarningH302 (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. |
|---|---|
| 규제 정보 | 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/249452-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 Categories | Acute Tox. 4 (17%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 20/21-58 |
| 기존화학 물질 | KE-24106 |
| 위험 등급 | Aquatic Acute 1Aquatic Chronic 1Repr. 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
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).
용도
2-Isopropylthioxanthone is a thioxanthone derivative useful as photoinitiators.
일반 설명
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.