TPO-L CAS#: 84434-11-7; ChemWhat Code: 1201084
Identification
| Product Name | TPO-L |
| IUPAC Name | [ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone |
| Molecular Structure |  |
| CAS Registry Number | 84434-11-7 |
| EINECS Number | 282-810-6 |
| MDL Number | MFCD08692488 |
| Synonyms | 2,4,6-trimethylbenzoylphenylphosphinic acid ethyl ester, 2,4,6-trimethylbenzoylethoxyphenylphosphine oxide, ethyl (2,4,6-trimethylbenzoyl)phenylphosphinate, ethyl phenyl(2,4,6-trimethylbenzoyl)phosphinate, ethyl 2,4,6-trimethylbenzoylphenylphosphinate, Irgacure TPO-L, lucirin TPO-L |
| Molecular Formula | C18H21O3P |
| Molecular Weight | 316.331 |
| InChI | InChI=1S/C18H21O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4/h6-12H,5H2,1-4H3 |
| InChI Key | ZMDDERVSCYEKPQ-UHFFFAOYSA-N |
| Canonical SMILES | CCOP(=O)(C1=CC=CC=C1)C(=O)C2=C(C=C(C=C2C)C)C |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN110818737 | Novel preparation method of phenyl phosphine oxide initiator (by machine translation) | 2020 |
| WO2017/191043 | ACYLPHOSPHINE OXIDE PHOTOINITIATORS | 2017 |
| CN103288873 | Sulfonyl or quinonyl functionalized acyl phosphine oxidation compound (by machine translation) | 2017 |
Physical Data
| Appearance | Yellow liquid |
| Boiling Point | 456.0±55.0 °C(Predicted) |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Coupling Nuclei | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 400 | |
| Chemical shifts, Spectrum | 13C | 31P | chloroform-d1 | 100 |
| Chemical shifts, Spectrum | 31P | chloroform-d1 | 162 | |
| Chemical shifts | 1H | chloroform-d1 |
| Description (UV/VIS Spectroscopy) |
| Spectrum |
| Band assignment, Spectrum |
| TPO-L CAS#: 84434-11-7 UV Absorption Spectrum |  |
Route of Synthesis (ROS)
| Conditions | Yield |
| With sodium iodide In butanone at 65℃; for 24h; | 90.6% |
| Multi-step reaction with 2 steps 1: sodium iodide / butanone / 24 h / 60 °C 2: sulfuric acid / water / 20 °C / pH Ca. 1 | 99% |
| With sodium iodide In butanone at 65℃; for 8h; Inert atmosphere; | 42.3g |
Safety and Hazards
| Pictogram(s) |   |
| Signal | Danger |
| GHS Hazard Statements | H317 (96.49%): May cause an allergic skin reaction [Warning Sensitization, Skin] H411 (96.36%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | 293190 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 316.337 |
| logP | 4.553 |
| HBA | 3 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 53.18 |
| Rotatable Bond (RotB) | 5 |
| Matching Veber Rules | 2 |
| Use Pattern |
| TPO-L is a liquid photo-initiator with excellent compatibility, it is especially easy to incorporate into all formulations. |
| Photo-initiator TPO-L absorbs in long wave region of UV spectrum, it can completely cure paints and surfaces pigmented with TiO 2 . |
| It is particularly suited to use in pigmented coatings, white paints and thick film layers requiring low yellowing and low odor. |
| Photo-initiator TPO-L is usually combined with other photo-initiators, like Photo-initiator TPO-L 184, Photo-initiator TPO-L 1173 or BP-Flakes to improve surface cure. |
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