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Molecule

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

Identifiers

CAS Registry Number

2082-79-3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

InChI Key

SSDSCDGVMJFTEQ-UHFFFAOYSA-N

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

Names and Synonyms

  • Antioxidant 1076 Synonym
  • Sumilizer BP 76 Synonym
  • E 376 Synonym
  • I 1076 Synonym
  • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester Synonym
  • Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, octadecyl ester Synonym
  • Irganox 1076 Synonym
  • Octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate Synonym
  • Octadecyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Synonym
  • Octadecyl β-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate Synonym
  • 2,6-Di-tert-butyl-4-[[(octadecyloxy)carbonyl]ethyl]phenol Synonym
  • Octadecyl 3,5-di-tert-butyl-4-hydroxyphenylpropionate Synonym
  • Stearyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Synonym
  • Octadecyl β-(3,5-tert-butyl-4-hydroxyphenyl)propionate Synonym
  • Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Synonym
  • Stearyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate Synonym
  • 4-Carboxyethyl)-2,6-di-tert-butyl-1-hydroxybenzene stearyl ester Synonym
  • Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate Synonym
  • 3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid octadecyl ester Synonym
  • 2,6-Di-tert-butyl-4-(octadecanoxycarbonylethyl)phenol Synonym
  • n-Octadecyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Synonym
  • 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid octadecyl ester Synonym
  • 3-(3,5-Di-tert-butyl-4-hydroxyphenol)propionic acid octadecyl ester Synonym
  • Stearyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Synonym
  • Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propenoate Synonym
  • Octadecyl β-(4-hydroxy-3,5-di-tert-butylphenyl)propionate Synonym
  • Octadecyl 3,5-di-tert-butyl-4-oxyphenylpropionate Synonym
  • Octadecyl 3-(3′,5′-di-tert-butyl-4-hydroxyphenyl) propionate Synonym
  • n-Octadecyl β-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate Synonym
  • Antioxidant 1076 Synonym
  • AO 4 Synonym
  • Irganox 1906 Synonym
  • Octadecyl 3-(4-hydroxy-3,5-di-tert-butylphenyl)propionate Synonym
  • Mark AO 50 Synonym
  • U 276 Synonym
  • Octadecyl 3,5-bis(1,1-dimethylethyl)-4-hydroxyphenylpropanoate Synonym
  • Naugard 76 Synonym
  • IR 1076 Synonym
  • Irganox 1976 Synonym
  • Ralox 530 Synonym
  • Anox PP 18 Synonym
  • n-Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Synonym
  • ADK Stab AO 50 Synonym
  • Irganox L 107 Synonym
  • Octadecyl 3-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate Synonym
  • Irganox I 1076 Synonym
  • n-Octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate Synonym
  • Ultranox 276 Synonym
  • Octadecyl 3-[3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzene]propionate Synonym
  • n-Octadecyl-3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate Synonym
  • Tominokusu SS Synonym
  • Tominox SS Synonym
  • IX 1076 Synonym
  • Selosol F 773 Synonym
  • Arenox A 76 Synonym
  • Irganox 1068 Synonym
  • Hostanox O 16 Synonym
  • O 16 Synonym
  • Hostanox M 016 Synonym
  • n-Octadecyl 3-(4′-hydroxy-3′,5′-di-tert-butylphenyl)propionate Synonym
  • AT 76 Synonym
  • L 107 Synonym
  • Octadecanyl β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate Synonym
  • AO 50 Synonym
  • M 4 Synonym
  • Quantox 1076 Synonym
  • Irgastab PVC 76 Synonym
  • Irganox 1076DWJ Synonym
  • Hostanox 016 Synonym
  • Songnox 1076 Synonym
  • Addiox 1016 Synonym
  • Tinogard TS Synonym
  • JY 1076 Synonym
  • KY 1076 Synonym
  • Sonox 1076 Synonym
  • Chinox 1076 Synonym
  • Chemnox 1076 Synonym
  • HG 1076 Synonym
  • Irganox 1096 Synonym
  • Antioxidant 1016 Synonym
  • 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid stearyl ester Synonym
  • AO 1076 Synonym
  • Adeka Stab AO 50 Synonym
  • Antioxidant 1068 Synonym
  • Octadecyl 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)propionate Synonym
  • Antioxidant 1081 Synonym
  • β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid octadecyl ester Synonym
  • Octadecyl 3-(3,5-bis-tert-butyl-4-hydroxyphenyl)propanoate Synonym
  • Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate Synonym
  • β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid n-octadecyl alcohol ester Synonym
  • 2,6-Di-tert-butyl-4-[(2-octadecyloxycarbonyl)ethyl]phenol Synonym
  • β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanoic acid n-octadecyl ester Synonym
  • Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate Synonym
  • Jyanox 1076 Synonym
  • β-(4-Hydroxy-3,5-di-tert-butylphenyl)propanoic acid n-octadecyl ester Synonym
  • AT 1076 Synonym
  • Dovernox 76 Synonym
  • 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid octadecyl ester Synonym
  • B 65227 Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 530.88 g/mol CAS Common Chemistry
530.8780000000003 g/mol RDKit
530.878 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
10.7245 RDKit
11.41 chempirical lib
Molar Refractivity 164.33279999999965 cm³/mol RDKit
Ring Count 1 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.8 RDKit
Exact Mass 530.469895844 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

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 = 530.88 g/mol. Edit any field — others recompute live.

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