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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
Loading 3D structure...
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
Common Name
Yoshinox 1330
Synonym
Good-rite 1330
Synonym
Alvinox 100
Synonym
ADK Stab AO 330
Synonym
Seenox 326M
Synonym
Mark AO 330
Synonym
Irganox 1330
Synonym
Ethanox 330
Synonym
1,3,5-Trimethyl-2,4,6-tris(3′,5′-di-tert-butyl-4′-hydroxybenzyl)benzene
Synonym
Antioxidant 40
Synonym
Agidol 40
Synonym
Antioxidant 330
Synonym
1,3,5-Dimethyl-2,4,6-tris(3,5-tert-butyl-4-hydroxybenzyl)benzene
Synonym
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxyphenylmethyl)-2,4,6-trimethylbenzene
Synonym
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-2,4,6-trimethylbenzene
Synonym
2,4,6-Bis(4-hydroxy-3,5-di-tert-butylbenzyl)mesitylene
Synonym
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxytolyl)benzene
Synonym
Irganox 330
Synonym
Ethyl 330
Synonym
1,3,5-Trimethyl-2,4,6-tris(4-hydroxy-3,5-di-tert-butylbenzyl)benzene
Synonym
Ethyl Antioxidant 330
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)-1,3,5-trimethylbenzene
Synonym
AO 40
Synonym
2,4,6-Tris(4-hydroxy-3,5-di-tert-butylbenzyl)mesitylene
Synonym
2,4,6-Tris(3′,5′-di-tert-butyl-4′-hydroxybenzyl)mesitylene
Synonym
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
Synonym
Ionox 330
Synonym
4,4′,4′′-[(2,4,6-Trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)phenol
Synonym
p-Cresol, α,α′,α′′-(trimethyl-s-phenenyl)tris[2,6-di-tert-butyl-
Synonym
p-Cresol, α,α′,α′′-(2,4,6-trimethyl-s-phenenyl)tris[2,6-di-tert-butyl-
Synonym
Phenol, 4,4′,4′′-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)-
Synonym
NSC 85846
Synonym
Anox 330
Synonym
Chinox 1330
Synonym
Songnox 1330
Synonym
AO 13
Synonym
AO 1330
Synonym
Rianox 330
Synonym
1,3,5-Trimethyl-2,4,6-tris(3,5-di-t-butyl-4-hydroxybenzyl)benzene
Synonym
KY 1330
Synonym
Irg 1330
Synonym
Antioxidant 1330
Synonym
3,3′,3′′,5,5′,5′′-Hexa-tert-butyl-α,α′,α′′-(mesitylene-2,4,6-triyl)tri-p-cresol
Synonym
1,3,5-Trimethyl-2,4,6-tri(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
Synonym
Anox 330TDS
Synonym
Ethanox 300
Synonym
ADK Stab A 330
Synonym
IR 1330
Synonym
1,3,5-Trismethyl-2,4,6-tris(3,5-tert-butyl-4-hydroxybenzyl)benzene
Synonym
AO 330
Synonym
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 14.286059999999969 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 245.59139999999903 | RDKit |