4-Isopropylthioxanthone

HCID 158403
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Basic information

CAS
83846-86-0
Standard SMILES
CC(C)c1cccc2c(=O)c3ccccc3sc12
InChIKey
IKVYHNPVKUNCJM-UHFFFAOYSA-N
Molecular formula
C16H14OS
Average molar mass
254.3 g/mol
Monoisotopic mass
254.07653607

Overview

See also: Thioxanthen-9-one, 4-(1-methylethyl)- (annotation moved to).

Names & identifiers

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

Names & synonyms

4-Isopropylthioxanthone4-Isopropyl-9H-thioxanthen-9-one9H-Thioxanthen-9-one, 4-(1-methylethyl)-4-Isopropyl-thioxanthene-9-onePAF3CW7TJ84-Isopropyl-9-thioxanthoneEINECS 281-065-4DTXSID80868761RefChem:99514DTXCID208168424-(1-Methylethyl)-9H-thioxanthen-9-one83846-86-0
Show more names
ITX4-IsopropylthioxanthISOPROPYLTHIOXANTHONE4-ISOPROPYLTHIOXANTHONE 98+%
4-propan-2-ylthioxanthen-9-oneMFCD001922474-(propan-2-yl)-9H-thioxanthen-9-one9H-Thioxanthen-9-one,4-(1-methylethyl)-4-Isopropylthioxanthen-9-one4-(1-Methylethyl)-9H-thioxanthen-9-one; 4-(1-Methylethyl)-9H-thioxanthen-9-one; 4-Isopropyl-9-thioxanthone; 4-Isopropyl-9H-thioxanthen-9-one; 4-Isopropylthioxanthone4-IsopropylthioxantoneUNII-PAF3CW7TJ8

Database identifiers

CAS
83846-86-0
PubChem CID
158403
DTXSID
DTXSID80868761
UNII
PAF3CW7TJ8
EC Number
281-065-4
Nikkaji
J326.911F

Properties

Computed structural properties

XLogP
4.6
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

Physicochemical properties

Melting point
107 · 107-109°C
Boiling point
391 · 391.0±32.0 °C(Predicted)
Density
1.199 · 1.199±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly)
color
Pale Yellow

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 64.2% (95 of 148) of all reports.

Warning

H302 (35.1%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 148 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information9H-Thioxanthen-9-one, 4-(1-methylethyl)-: 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 (35.1%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
tsca
TSCA listed
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing Information9H-Thioxanthen-9-one, 4-(1-methylethyl)-: ACTIVE

Applications

Uses4-Isopropylthioxanthone is a thioxanthone derivative useful as photoinitiators.

Suppliers52 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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