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Irganox 1425
CAS: 65140-91-2 | C17H29CaO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
65140-91-2
Molecular Formula:
C17H29CaO4P
Molecular Mass:
368.47 g/mol
Names and Synonyms:
Irganox 1425
Calcium bis[3,5-di(tert-butyl)-4-hydroxybenzyl(ethoxy)phosphinate]
Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1)
Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1)
Irganox 1425
Irganox 1425WL
Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)
Irganox I 1425
IR 1425WL
Calcium (3,5-di-tert-butyl-4-hydroxybenzyl monoethyl phosphonate)
Calcium bis[ethyl (3,5-di-tert-butyl-4-hydroxyphenyl)methanephosphonate]
Calcium diethyl bis[[[3,5-(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate]
Calcium bis[monoethyl (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate]
Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)
Irgamod 195
BNX 1425
Antioxidant 1425
Calcium bis(monoethyl (3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate)
Identifiers:
SMILES:
CCOP(=O)(O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Ca]
InChI:
InChI=1S/C17H29O4P.Ca/c1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7;/h9-10,18H,8,11H2,1-7H3,(H,19,20);
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 | 368.47 g/mol | CAS Common Chemistry |
| 368.4670000000001 g/mol | RDKit | |
| 368.14293701800005 g/mol | RDKit | |
| Canonical SMILES | [Ca].O=P(O)(OCC)CC=1C=C(C(O)=C(C1)C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H29O4P.Ca/c1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7;/h9-10,18H,8,11H2,1-7H3,(H,19,20); | CAS Common Chemistry |
| InChI Key | InChIKey=OOCILPYOPQKPJY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Irganox 1425 | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 4.328300000000004 | RDKit |
| Molar Refractivity | 96.41610000000006 | RDKit |
