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Molecule

1,3,5-Trimethyl-2,4,6-Tris(3,5-Di-Tert-Butyl-4-Hydroxybenzyl)Benzene

CAS: 1709-70-2 · C54H78O3

2D Structure

3D Structure

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Basic Information

CAS Registry Number
1709-70-2
Molecular Formula
C54H78O3
Molecular Mass
775.22 g/mol

Identifiers

CAS Registry Number

1709-70-2

SMILES

Cc1c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

InChI Key

VSAWBBYYMBQKIK-UHFFFAOYSA-N

InChI

InChI=1S/C54H78O3/c1-31-37(22-34-25-40(49(4,5)6)46(55)41(26-34)50(7,8)9)32(2)39(24-36-29-44(53(16,17)18)48(57)45(30-36)54(19,20)21)33(3)38(31)23-35-27-42(51(10,11)12)47(56)43(28-35)52(13,14)15/h25-30,55-57H,22-24H2,1-21H3

Names and Synonyms

  • 1,3,5-Trimethyl-2,4,6-Tris(3,5-Di-Tert-Butyl-4-Hydroxybenzyl)Benzene Systematic Name
  • AO 330 Synonym
  • 1,3,5-Trismethyl-2,4,6-tris(3,5-tert-butyl-4-hydroxybenzyl)benzene Synonym
  • IR 1330 Synonym
  • ADK Stab A 330 Synonym
  • Ethanox 300 Synonym
  • Anox 330TDS Synonym
  • 1,3,5-Trimethyl-2,4,6-tri(3,5-di-tert-butyl-4-hydroxybenzyl)benzene Synonym
  • 3,3′,3′′,5,5′,5′′-Hexa-tert-butyl-α,α′,α′′-(mesitylene-2,4,6-triyl)tri-p-cresol Synonym
  • Antioxidant 1330 Synonym
  • Irg 1330 Synonym
  • KY 1330 Synonym
  • 1,3,5-Trimethyl-2,4,6-tris(3,5-di-t-butyl-4-hydroxybenzyl)benzene Synonym
  • Rianox 330 Synonym
  • AO 1330 Synonym
  • AO 13 Synonym
  • Songnox 1330 Synonym
  • Chinox 1330 Synonym
  • Anox 330 Synonym
  • NSC 85846 Synonym
  • Phenol, 4,4′,4′′-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)- Synonym
  • p-Cresol, α,α′,α′′-(2,4,6-trimethyl-s-phenenyl)tris[2,6-di-tert-butyl- Synonym
  • p-Cresol, α,α′,α′′-(trimethyl-s-phenenyl)tris[2,6-di-tert-butyl- Synonym
  • 4,4′,4′′-[(2,4,6-Trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)phenol Synonym
  • Ionox 330 Synonym
  • 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene Synonym
  • 2,4,6-Tris(3′,5′-di-tert-butyl-4′-hydroxybenzyl)mesitylene Synonym
  • 2,4,6-Tris(4-hydroxy-3,5-di-tert-butylbenzyl)mesitylene Synonym
  • AO 40 Synonym
  • 2,4,6-Tris(4-hydroxy-3,5-di-tert-butylbenzyl)-1,3,5-trimethylbenzene Synonym
  • 2,4,6-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)mesitylene Synonym
  • Ethyl Antioxidant 330 Synonym
  • 1,3,5-Trimethyl-2,4,6-tris(4-hydroxy-3,5-di-tert-butylbenzyl)benzene Synonym
  • Ethyl 330 Synonym
  • Irganox 330 Synonym
  • 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxytolyl)benzene Synonym
  • 2,4,6-Bis(4-hydroxy-3,5-di-tert-butylbenzyl)mesitylene Synonym
  • 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-2,4,6-trimethylbenzene Synonym
  • 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxyphenylmethyl)-2,4,6-trimethylbenzene Synonym
  • 1,3,5-Dimethyl-2,4,6-tris(3,5-tert-butyl-4-hydroxybenzyl)benzene Synonym
  • Antioxidant 330 Synonym
  • Agidol 40 Synonym
  • Antioxidant 40 Synonym
  • 1,3,5-Trimethyl-2,4,6-tris(3′,5′-di-tert-butyl-4′-hydroxybenzyl)benzene Synonym
  • Ethanox 330 Synonym
  • Irganox 1330 Synonym
  • Mark AO 330 Synonym
  • Seenox 326M Synonym
  • ADK Stab AO 330 Synonym
  • Alvinox 100 Synonym
  • Good-rite 1330 Synonym
  • Yoshinox 1330 Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 775.22 g/mol CAS Common Chemistry
775.2149999999999 g/mol RDKit
775.215 g/mol RDKit
Canonical SMILES OC=1C(=CC(=CC1C(C)(C)C)CC=2C(=C(C(=C(C2C)CC=3C=C(C(O)=C(C3)C(C)(C)C)C(C)(C)C)C)CC=4C=C(C(O)=C(C4)C(C)(C)C)C(C)(C)C)C)C(C)(C)C CAS Common Chemistry
InChI InChI=1S/C54H78O3/c1-31-37(22-34-25-40(49(4,5)6)46(55)41(26-34)50(7,8)9)32(2)39(24-36-29-44(53(16,17)18)48(57)45(30-36)54(19,20)21)33(3)38(31)23-35-27-42(51(10,11)12)47(56)43(28-35)52(13,14)15/h25-30,55-57H,22-24H2,1-21H3 CAS Common Chemistry
InChI Key InChIKey=VSAWBBYYMBQKIK-UHFFFAOYSA-N CAS Common Chemistry
Melting Point 244 °C CAS Common Chemistry
Name 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene CAS Common Chemistry
Heavy Atom Count 57 RDKit
Hydrogen Bond Acceptors 3 RDKit
Hydrogen Bond Donors 3 RDKit
Rotatable Bonds 6 RDKit
Aromatic Ring Count 4 RDKit
Topological Polar Surface Area 60.69 Ų RDKit
LogP 14.286059999999969 RDKit
14.2861 RDKit
15.17 chempirical lib
Molar Refractivity 245.59139999999903 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.5556 RDKit
0.56 chempirical lib
Exact Mass 774.5950963560001 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 = 775.22 g/mol. Edit any field — others recompute live.

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