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Ethyl (2,4,6-Trimethylbenzoyl)Phenylphosphinate
CAS: 84434-11-7 | C18H21O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
84434-11-7
Molecular Formula:
C18H21O3P
Molecular Mass:
316.34 g/mol
Names and Synonyms:
Ethyl (2,4,6-Trimethylbenzoyl)Phenylphosphinate
Phosphinic acid, P-phenyl-P-(2,4,6-trimethylbenzoyl)-, ethyl ester
Phosphinic acid, phenyl(2,4,6-trimethylbenzoyl)-, ethyl ester
LR 8893X
2,4,6-Trimethylbenzoylethoxyphenylphosphine oxide
Lucirin TPO-L
Lucirin TPO Liquid
Lucirin LR 8893X
TPO-L
Ethyl phenyl(2,4,6-trimethylbenzoyl)phosphinate
Ethyl (2,4,6-trimethylbenzoyl)phenylphosphinate
2,4,6-Trimethylbenzoylphenylethoxyphosphine oxide
JRcure TPO-L
Speedcure TPO-L
Omnirad TPO-L
Darocur TPO-L
Irgacure TPO-L
Photoinitiator TEPO
Doublecure 1256
[Ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
2,4,6-Trimethylbenzoyl-ethoxylphenylphosphine oxide
Omnirad TPO-I
Identifiers:
SMILES:
CCOP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 316.34 g/mol | CAS Common Chemistry |
| 316.337 g/mol | RDKit | |
| 316.122831162 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 |
| LogP | 4.392160000000003 | RDKit |
| Molar Refractivity | 90.29200000000004 | RDKit |
