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Molecule
Ethyl (2,4,6-Trimethylbenzoyl)Phenylphosphinate
CAS: 84434-11-7 · C18H21O3P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 84434-11-7
- Molecular Formula
- C18H21O3P
- Molecular Mass
- 316.34 g/mol
Identifiers
CAS Registry Number
84434-11-7
SMILES
CCOP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChI Key
ZMDDERVSCYEKPQ-UHFFFAOYSA-N
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
Names and Synonyms
- Ethyl (2,4,6-Trimethylbenzoyl)Phenylphosphinate Systematic Name
- Phosphinic acid, P-phenyl-P-(2,4,6-trimethylbenzoyl)-, ethyl ester Synonym
- Phosphinic acid, phenyl(2,4,6-trimethylbenzoyl)-, ethyl ester Synonym
- LR 8893X Synonym
- 2,4,6-Trimethylbenzoylethoxyphenylphosphine oxide Synonym
- Lucirin TPO-L Synonym
- Lucirin TPO Liquid Synonym
- Lucirin LR 8893X Synonym
- TPO-L Synonym
- Ethyl phenyl(2,4,6-trimethylbenzoyl)phosphinate Synonym
- Ethyl (2,4,6-trimethylbenzoyl)phenylphosphinate Synonym
- 2,4,6-Trimethylbenzoylphenylethoxyphosphine oxide Synonym
- JRcure TPO-L Synonym
- Speedcure TPO-L Synonym
- Omnirad TPO-L Synonym
- Darocur TPO-L Synonym
- Irgacure TPO-L Synonym
- Photoinitiator TEPO Synonym
- Doublecure 1256 Synonym
- [Ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone Synonym
- 2,4,6-Trimethylbenzoyl-ethoxylphenylphosphine oxide Synonym
- Omnirad TPO-I Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 316.34 g/mol | CAS Common Chemistry |
| 316.337 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C(=CC(=CC1C)C)C)P(=O)(OCC)C=2C=CC=CC2 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=ZMDDERVSCYEKPQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl (2,4,6-trimethylbenzoyl)phenylphosphinate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 4.392160000000003 | RDKit |
| 4.3922 | RDKit | |
| Molar Refractivity | 90.29200000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2778 | RDKit |
| 0.28 | chempirical lib | |
| Exact Mass | 316.122831162 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Safety
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MW = 316.34 g/mol. Edit any field — others recompute live.
