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Antioxidant 1076
CAS: 2082-79-3 | C35H62O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2082-79-3
Molecular Formula:
C35H62O3
Molecular Mass:
530.88 g/mol
Names and Synonyms:
Antioxidant 1076
Sumilizer BP 76
E 376
I 1076
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester
Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, octadecyl ester
Irganox 1076
Octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
Octadecyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Octadecyl β-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate
2,6-Di-tert-butyl-4-[[(octadecyloxy)carbonyl]ethyl]phenol
Octadecyl 3,5-di-tert-butyl-4-hydroxyphenylpropionate
Stearyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Octadecyl β-(3,5-tert-butyl-4-hydroxyphenyl)propionate
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Stearyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
4-Carboxyethyl)-2,6-di-tert-butyl-1-hydroxybenzene stearyl ester
Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate
3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid octadecyl ester
2,6-Di-tert-butyl-4-(octadecanoxycarbonylethyl)phenol
n-Octadecyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid octadecyl ester
3-(3,5-Di-tert-butyl-4-hydroxyphenol)propionic acid octadecyl ester
Stearyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propenoate
Octadecyl β-(4-hydroxy-3,5-di-tert-butylphenyl)propionate
Octadecyl 3,5-di-tert-butyl-4-oxyphenylpropionate
Octadecyl 3-(3′,5′-di-tert-butyl-4-hydroxyphenyl) propionate
n-Octadecyl β-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate
Antioxidant 1076
AO 4
Irganox 1906
Octadecyl 3-(4-hydroxy-3,5-di-tert-butylphenyl)propionate
Mark AO 50
U 276
Octadecyl 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenylpropanoate
Naugard 76
IR 1076
Irganox 1976
Ralox 530
Anox PP 18
n-Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
ADK Stab AO 50
Irganox L 107
Octadecyl 3-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate
Irganox I 1076
n-Octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
Ultranox 276
Octadecyl 3-[3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzene]propionate
n-Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate
Tominokusu SS
Tominox SS
IX 1076
Selosol F 773
Arenox A 76
Irganox 1068
Hostanox O 16
O 16
Hostanox M 016
n-Octadecyl 3-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate
AT 76
L 107
Octadecanyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
AO 50
M 4
Quantox 1076
Irgastab PVC 76
Irganox 1076DWJ
Hostanox 016
Songnox 1076
Addiox 1016
Tinogard TS
JY 1076
KY 1076
Sonox 1076
Chinox 1076
Chemnox 1076
HG 1076
Irganox 1096
Antioxidant 1016
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid stearyl ester
AO 1076
Adeka Stab AO 50
Antioxidant 1068
Octadecyl 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)propionate
Antioxidant 1081
β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid octadecyl ester
Octadecyl 3-(3,5-bis-tert-butyl-4-hydroxyphenyl)propanoate
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate
β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid n-octadecyl alcohol ester
2,6-Di-tert-butyl-4-[(2-octadecyloxycarbonyl)ethyl]phenol
β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanoic acid n-octadecyl ester
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Jyanox 1076
β-(4-Hydroxy-3,5-di-tert-butylphenyl)propanoic acid n-octadecyl ester
AT 1076
Dovernox 76
3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid octadecyl ester
B 65227
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI:
InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3
Key Properties
Melting Point
49-50 °C
CAS Common Chemistry
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 | 530.88 g/mol | CAS Common Chemistry |
| 530.8780000000003 g/mol | RDKit | |
| 530.469895844 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCCCCCCCCCCCCCCCCC)CCC=1C=C(C(O)=C(C1)C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SSDSCDGVMJFTEQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49-50 °C | CAS Common Chemistry |
| Name | Antioxidant 1076 | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 10.724499999999992 | RDKit |
| Molar Refractivity | 164.33279999999965 | RDKit |
