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Molecule
Irganox 1425
CAS: 65140-91-2 · C17H29CaO4P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 65140-91-2
- Molecular Formula
- C17H29CaO4P
- Molecular Mass
- 368.47 g/mol
Identifiers
CAS Registry Number
65140-91-2
SMILES
CCOP(=O)(O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Ca]
InChI Key
OOCILPYOPQKPJY-UHFFFAOYSA-N
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);
Names and Synonyms
- Irganox 1425 Synonym
- Calcium bis[3,5-di(tert-butyl)-4-hydroxybenzyl(ethoxy)phosphinate] Synonym
- Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1) Synonym
- Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monoethyl ester, calcium salt (2:1) Synonym
- Irganox 1425 Synonym
- Irganox 1425WL Synonym
- Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) Synonym
- Irganox I 1425 Synonym
- IR 1425WL Synonym
- Calcium (3,5-di-tert-butyl-4-hydroxybenzyl monoethyl phosphonate) Synonym
- Calcium bis[ethyl (3,5-di-tert-butyl-4-hydroxyphenyl)methanephosphonate] Synonym
- Calcium diethyl bis[[[3,5-(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate] Synonym
- Calcium bis[monoethyl (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate] Synonym
- Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) Synonym
- Irgamod 195 Synonym
- BNX 1425 Synonym
- Antioxidant 1425 Synonym
- Calcium bis(monoethyl (3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.47 g/mol | CAS Common Chemistry |
| 368.4670000000001 g/mol | RDKit | |
| 368.467 g/mol | RDKit | |
| 370.483 g/mol | chempirical lib | |
| 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 |
| 4.3283 | RDKit | |
| Molar Refractivity | 96.41610000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6471 | RDKit |
| 0.65 | chempirical lib | |
| Exact Mass | 368.14293701800005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 368.47 g/mol. Edit any field — others recompute live.
