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Structure

1,3,5-Trimethyl-2,4,6-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)Benzene

CAS
1709-70-2
Catalog Number
ACM1709702-4
Category
Polymer/Macromolecule
Molecular Weight
775.20
Molecular Formula
C54H78O3

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Specification

Description
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene(HEMA) is an antioxidant that can be used to prevent the oxidative degradation of plastics.
Synonyms
IRGANOX 1330;santoquinmixture6;ionox330;At 1330;Antioxidants 330
IUPAC Name
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol
Canonical SMILES
Cc1c(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c(C)c(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c(C)c1Cc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C
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
InChI Key
VSAWBBYYMBQKIK-UHFFFAOYSA-N
Melting Point
248-250ºC
Flash Point
240ºC
Density
1.004 g/cm³
Appearance
White crystalline powder
Application
HEMA can be used as an antioxidant in the polycondensation of poly(isosorbide maleate-co-succinate) and poly(isosorbide maleate) to prepare biobased based unsaturated polyester. It may also be used in the preparation of water soluble polyesters which can potentially be used as in drug delivery and industrial coatings.
Assay
99%
Complexity
1030
Covalently-Bonded Unit Count
1
EC Number
216-971-0
Exact Mass
774.595096g/mol
Features And Benefits
1. High quality products
2. Fast delivery
3. Additional products can be ordered, please contact us for details
Formal Charge
0
Hazard Codes
Xi
H-Bond Acceptor
3
H-Bond Donor
3
Heavy Atom Count
57
LogP
14.28600
MDL Number
MFCD00026284
Monoisotopic Mass
774.595096g/mol
NACRES
NA.23
NSC Number
85846
Packaging
Packaging
100 g in poly bottle
Physical State
White powder
PSA
6.69
PubChem ID
24865854
Quality Level
100
Refractive Index
1.546
Rotatable Bond Count
12
UNII
51DM34B894
Vapor Pressure
5.02E-22mmHg at 25°C
WGK Germany
1
XLogP3
17.7
What is the chemical name?

The chemical name is 1,3,5-Trimethyl-2,4,6-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)Benzene.

What is the CAS number?

The CAS number is 1709-70-2.

What is the category?

The product belongs to the category of Aromatic Hydrocarbons.

What is the molecular weight?

The molecular weight is 775.20.

What is the molecular formula?

The molecular formula is C54H78O3.

What is the appearance?

The product appears as a white crystalline powder.

What is one application?

One application is as an antioxidant in the polycondensation of poly(isosorbide maleate-co-succinate) and poly(isosorbide maleate) to prepare biobased unsaturated polyester.

What is the purity percentage?

The purity is mentioned to be 98%.

What is the density?

The density is 1.004 g/cm³.

What are three features and benefits?

The three features and benefits mentioned are high quality products, fast delivery, and the option to order additional products by contacting the provider for details.

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