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M 4
CAS: 2082-79-3 | C35H62O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2082-79-3
Molecular Formula:
C35H62O3
Molecular Weight:
530.8780000000003 g/mol
Names and Synonyms:
M 4
Irganox 1076DWJ
Hostanox 016
Songnox 1076
Addiox 1016
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
Quantox 1076
Irgastab PVC 76
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
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 | 530.8780000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 530.469895844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 38 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 20 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 10.724499999999992 | RDKit |
| molecular_mass | 530.88 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OCCCCCCCCCCCCCCCCCC)CCC=1C=C(C(O)=C(C1)C(C)(C)C)C(C)(C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=SSDSCDGVMJFTEQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 49-50 °C None | Legacy Database |
| cas-name | Antioxidant 1076 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 164.33279999999965 | RDKit |
