1-Propanone, 1-(4-((4-benzoylphenyl)thio)phenyl)-2-methyl-2-((4-methylphenyl)sulfonyl)-
Basic information
- CAS
272460-97-6- Standard SMILES
Cc1ccc(S(=O)(=O)C(C)(C)C(=O)c2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1- InChIKey
JZKPKNSYAHAKJY-UHFFFAOYSA-N- Molecular formula
- C30H26O4S2
- Average molar mass
- 514.7 g/mol
- Monoisotopic mass
- 514.12725165
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1-Propanone, 1-(4-((4-benzoylphenyl)thio)phenyl)-2-methyl-2-((4-methylphenyl)sulfonyl)-
- IUPAC
- 1-[4-(4-benzoylphenyl)sulfanylphenyl]-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
- English name
- Esacure 1001 M
- Molecular formula
- C30H26O4S2
- Molecular weight
- 514.66
Names & synonyms
1-Propanone, 1-[4-[(4-benzoylphenyl)thio]phenyl]-2-methyl-2-[(4-methylphenyl)sulfonyl]-DTXSID608891561-Propanone, 1-(4-((4-benzoylphenyl)thio)phenyl)-2-methyl-2-((4-methylphenyl)sulfonyl)-RefChem:436294EC 429-040-0DTXCID901028424272460-97-6Esacure 1001M1-(4-((4-Benzoylphenyl)thio)phenyl)-2-methyl-2-tosylpropan-1-one1-[4-(4-benzoylphenyl)sulfanylphenyl]-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one1-[4-(4-Benzoylphenylthio)phenyl]-2-tosyl-2-methyl-1-propanoneDifunctionalKetosulphone
Show more names
1-(4-((4-Benzoylcyclohexa-1,4-dien-1-yl)thio)phenyl)-2-methyl-2-(p-tolylsulfonyl)propan-1-one
Esacure 1001 MDifunctional KetosulphoneUQ7Z8WVZ2QEACURE 1001MSCHEMBL195111JZKPKNSYAHAKJY-UHFFFAOYSA-NKIP--1001M1-[4-(4-benzoylphenylsulfanyl)phenyl]-2-methyl-2-(4-methylphenylsulfonyl)propan-1-one
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 844
Physicochemical properties
- Boiling point
- 730.5 · 730.5±60.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- vapor pressure
- 0.004 Pa · 0.004Pa at 20℃
- color
- Off white to slightly pink powder
- Water Solubility
- 1 mg/L · 1mg/L at 20℃
- InChI
- InChI=1S/C30H26O4S2/c1-21-9-19-27(20-10-21)36(33,34)30(2,3)29(32)24-13-17-26(18-14-24)35-25-15-11-23(12-16-25)28(31)22-7-5-4-6-8-22/h4-20H,1-3H3
- InChIKey
- JZKPKNSYAHAKJY-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(SC2=CC=C(C(=O)C3=CC=CC=C3)C=C2)C=C1)(=O)C(C)(S(C1=CC=C(C)C=C1)(=O)=O)C
- LogP
- 5.45 at · 5.45 at 20℃
- EPA Substance Registry System
- 1 · 1-Propanone, 1-[4-[(4-benzoylphenyl)thio]phenyl]-2-methyl-2-[(4-methylphenyl)sulfonyl]- (272460-97-6)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H413
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
1-Propanone, 1-[4-[(4-benzoylphenyl)thio]phenyl]-2-methyl-2-[(4-methylphenyl)sulfonyl]-: 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.
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318-H413
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanone, 1-[4-[(4-benzoylphenyl)thio]phenyl]-2-methyl-2-[(4-methylphenyl)sulfonyl]-: ACTIVE
Applications
DescriptionDifunctional Ketosulphone (Esacure 1001 M) is a difunctional Type II photoinitiator of the ketosulphone class. It is used to initiate radical polymerisation of unsaturated oligomers e.g. acrylates after UV exposure.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…