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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 Weight:
636.9620000000002 g/mol
Names and Synonyms:
Irganox 1098
N,N′-Bis[3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionyl]hexamethylenediamine
Irg 1098
Lowinox HD 98
Irganox 1090
N,N′-Hexane-1,6-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide]
Antioxidant 1098
N,N′-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl]hexamethylenediamine
N,N′-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamide)
IX 1098
1,6-Bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamido)hexane
N,N′-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxyhydrocinnamamide)
Irganox 1098
1,6-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propylamido]hexane
N,N′-Hexamethylenebis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide]
1,6-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionylamino]hexane
1,6-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamido]hexane
N,N′-1,6-Hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenepropanamide
Hydrocinnamamide, N,N′-hexamethylenebis[3,5-di-tert-butyl-4-hydroxy-
Benzenepropanamide, N,N′-1,6-hexanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy-
Antage HP 300
HP 1098
AO 1098
N,N′-Hexamethylenebis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide]
Chinox 1098
Songnox 1098
GC Thanox 1098
Rianox 1098
N,N′-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl)hexanediamine
N,N′-1,6-Hexamethylenebis-3-(3,5-tert-butyl-4-hydroxyphenyl)propionamide
N,N′-Hexane-1,6-diyl-bis(3-(3,5-di-tert-butyl-4-hydroxyphenylpropionamide))
Heat stabilizer 1096
N,N′-Hexane-1,6-diylbis[3,5-ditert-butyl-4-hydroxyphenylpropionamide)]
KY 1098
Antioxidant 1096
Irganox B 1096
Chemnox 1098
3,3′-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-N,N′-hexamethylenedipropionamide
N,N′-Hexamethylenebis(3,5-di-tert-butyl-4-hydroxybenzenepropionamide)
Irganox 98
HD 98
N,N′-Bis[3-(3,5-tert-butyl-4-hydroxyphenyl)propionyl]hexamethylenediamine
N,N′-1,6-Hexamethylenebis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide
GX 2921
TTAD
Identifiers:
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:
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)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 636.9620000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 636.4866085279999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 46 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 13 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 105.64000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 10.326599999999994 | RDKit |
| molecular_mass | 636.96 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Irganox_1098 None | Legacy Database |
| cas-canonical-smile | 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 None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=OKOBUGCCXMIKDM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 158-159 °C @ Solvent: Benzene, Cyclohexane None | Legacy Database |
| cas-name | Antioxidant 1098 None | Legacy Database |
| wikipedia-name | Irganox 1098 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 195.98519999999928 | RDKit |
