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Molecule
Irganox 1098
CAS: 23128-74-7 · C40H64N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 23128-74-7
- Molecular Formula
- C40H64N2O4
- Molecular Mass
- 636.96 g/mol
Identifiers
CAS Registry Number
23128-74-7
SMILES
CC(C)(C)c1cc(CCC(O)=NCCCCCCN=C(O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChI Key
OKOBUGCCXMIKDM-UHFFFAOYSA-N
InChI
InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44)
Names and Synonyms
- Irganox 1098 Common Name
- Benzenepropanamide, N,N′-1,6-hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy- Synonym
- Hydrocinnamamide, N,N′-hexamethylenebis[3,5-di-tert-butyl-4-hydroxy- Synonym
- N,N′-1,6-Hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanamide Synonym
- 1,6-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamido]hexane Synonym
- 1,6-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionylamino]hexane Synonym
- N,N′-Hexamethylenebis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide] Synonym
- 1,6-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propylamido]hexane Synonym
- Irganox 1098 Synonym
- N,N′-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamamide) Synonym
- 1,6-Bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamido)hexane Synonym
- IX 1098 Synonym
- N,N′-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamide) Synonym
- N,N′-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl]hexamethylenediamine Synonym
- Antioxidant 1098 Synonym
- N,N′-Hexane-1,6-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide] Synonym
- Irganox 1090 Synonym
- Lowinox HD 98 Synonym
- Irg 1098 Synonym
- N,N′-Bis[3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionyl]hexamethylenediamine Synonym
- TTAD Synonym
- GX 2921 Synonym
- N,N′-1,6-Hexamethylenebis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide Synonym
- N,N′-Bis[3-(3,5-tert-butyl-4-hydroxyphenyl)propionyl]hexamethylenediamine Synonym
- HD 98 Synonym
- Irganox 98 Synonym
- N,N′-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxybenzenepropionamide) Synonym
- 3,3′-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-N,N′-hexamethylenedipropionamide Synonym
- Chemnox 1098 Synonym
- Irganox B 1096 Synonym
- Antioxidant 1096 Synonym
- KY 1098 Synonym
- N,N′-Hexane-1,6-diylbis[3,5-ditert-butyl-4-hydroxyphenylpropionamide)] Synonym
- Heat stabilizer 1096 Synonym
- N,N′-Hexane-1,6-diyl-bis(3-(3,5-di-tert-butyl-4-hydroxyphenylpropionamide)) Synonym
- N,N′-1,6-Hexamethylenebis-3-(3,5-tert-butyl-4-hydroxyphenyl)propionamide Synonym
- N,N′-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl)hexanediamine Synonym
- Rianox 1098 Synonym
- GC Thanox 1098 Synonym
- Songnox 1098 Synonym
- Chinox 1098 Synonym
- N,N′-Hexamethylenebis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide] Synonym
- AO 1098 Synonym
- HP 1098 Synonym
- Antage HP 300 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 636.96 g/mol | CAS Common Chemistry |
| 636.9620000000002 g/mol | RDKit | |
| 636.962 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Irganox_1098 | CAS Common Chemistry |
| Canonical SMILES | O=C(NCCCCCCNC(=O)CCC=1C=C(C(O)=C(C1)C(C)(C)C)C(C)(C)C)CCC=2C=C(C(O)=C(C2)C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44) | CAS Common Chemistry |
| InChI Key | InChIKey=OKOBUGCCXMIKDM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158-159 °C @ Solvent: Benzene, Cyclohexane | CAS Common Chemistry |
| Name | Antioxidant 1098 | CAS Common Chemistry |
| Heavy Atom Count | 46 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 105.64000000000001 Ų | RDKit |
| 105.64 Ų | RDKit | |
| LogP | 10.326599999999994 | RDKit |
| 10.3266 | RDKit | |
| 10.74 | chempirical lib | |
| Molar Refractivity | 195.98519999999928 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.65 | RDKit |
| Exact Mass | 636.4866085279999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
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MW = 636.96 g/mol. Edit any field — others recompute live.
