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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.

External Resources

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

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