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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 Weight: 775.2149999999999 g/mol

Names and Synonyms:

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

Identifiers:

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:
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

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 775.2149999999999 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 774.5950963560001 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 57 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 3 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 6 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 4 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 60.69 Ų RDKit

Physical Properties

Property Value Source
LogP 14.286059999999969 RDKit
molecular_mass 775.22 g/mol Legacy Database
cas-canonical-smile 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 None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=VSAWBBYYMBQKIK-UHFFFAOYSA-N None Legacy Database
cas-melting-point 244 °C None Legacy Database
cas-name 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene None Legacy Database

Molar

Property Value Source
Molar Refractivity 245.59139999999903 RDKit

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