2-Isopropyl-9H-thioxanthen-9-on
2-Isopropylthioxanthone
Grundinformationen
- CAS
5495-84-1- Standard-SMILES
CC(C)c1ccc2sc3ccccc3c(=O)c2c1- InChIKey
KTALPKYXQZGAEG-UHFFFAOYSA-N- Summenformel
- C16H14OS
- Durchschnittliche Molmasse
- 254,3 g/mol
- Monoisotopische Masse
- 254,07653624
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2-Isopropylthioxanthone
- IUPAC
- 2-propan-2-ylthioxanthen-9-one
- Lokaler Name
- 2-Isopropyl-9H-thioxanthen-9-on
- Englischer Name
- 2-Isopropylthioxanthone
- Summenformel
- C16H14OS
- Molmasse
- 254.35
Namen und Synonyme
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
Weitere Namen anzeigen
ITXOMNIRAD ITXPhotoinitiator ITX2-IsopropylthioxanthonISOPROPYLTHIOXANTHONE2-isopropyithioxanthonePhotocure-Itx2-isopropylthioxantone
2-Isopropyl Thioxanthone2-Isopropyltioxanthone2-propan-2-ylthioxanthen-9-one2-Isopropylthioxanthen-9-oneQuantacure itx54958-41-7MFCD00055658Speedcure ITX
Datenbank-Bezeichner
- CAS
5495-84-1- PubChem CID
- 79633
- DTXSID
DTXSID1044691- ChEMBL
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,1
- Polarare Oberfläche (TPSA)
- 42,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 325
Experimentelle und physikochemische Eigenschaften
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- 76 °C · 76 °C
- Siedepunkt
- 398.9 · 398.9±32.0 °C(Predicted)
- Dichte
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Flammpunkt
- 210 °C · 210 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Pale Yellow to Light Yellow
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- risk_code
- 22
- hazard_code
- Xn
- safety_code
Chemie und Industrie
Verwendung und Herstellung
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
Anwendungen
Beschreibung2-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).
Verwenden2-Isopropylthioxanthone is a thioxanthone derivative useful as photoinitiators.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Zugehörige Reaktionen
3
Notizen zur Verbindung
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