[phenyl(2,4,6-trimethylbenzoyl)phosphoryl](2,4,6-trimethylphenyl)methanone

• ChemBase ID: 150061
• Molecular Formular: C26H27O3P
• Molecular Mass: 418.464541
• Monoisotopic Mass: 418.16978135
• SMILES: Cc1cc(c(c(c1)C)C(=O)P(=O)(c1ccccc1)C(=O)c1c(cc(cc1C)C)C)C
• Canonical SMILES: Cc1cc(C)c(c(c1)C)C(=O)P(=O)(C(=O)c1c(C)cc(cc1C)C)c1ccccc1
• InChI: InChI=1S/C26H27O3P/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6/h7-15H,1-6H3
• InChIKey: GUCYFKSBFREPBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [phenyl(2,4,6-trimethylbenzoyl)phosphoryl](2,4,6-trimethylphenyl)methanone
• IUPAC Traditional name: [phenyl(2,4,6-trimethylbenzoyl)phosphoryl](2,4,6-trimethylphenyl)methanone
• Synonyms: Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide; 苯基双(2,4,6-三甲基苯甲酰基)氧化膦

Database IDs

• CAS Number: 162881-26-7
• EC Number: 423-340-5
• MDL Number: MFCD01863675
• PubChem SID: 24873541; 162244223
• PubChem CID: 164512

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.159
• LogD (pH = 7.4): 7.159
• Log P: 7.159
• Molar Refractivity: 124.4372 cm^3
• Polarizability: 47.138687 Å^3
• Polar Surface Area: 51.21 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: acetone, acetonitrile, toluene, and hexanediol diacrylate: soluble
• Apperance: powder
• Melting Point: 131-135 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: nwg
• Risk Statements: 43-53
• Safety Statements: 22-24-37-61
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H317-H413
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: [(CH3)3C6H2CO]2P(O)C6H5

DETAILS

Sigma Aldrich - 511447

Application
Versatile UV photoinitiator for radical polymerization of unsaturated resins, especially pigmented formulations.
Packaging
10 g in glass bottle
50 g in poly bottle
Citation
For the reaction mechanism of monoacyl- and bisacylphosphine oxide photoinitiators.1