| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM1709702-4 |
| Product Name | 1,3,5-Trimethyl-2,4,6-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)Benzene |
| CAS | 1709-70-2 |
| Structure |  |
| Synonyms | IRGANOX 1330;santoquinmixture6;ionox330;At 1330;Antioxidants 330 |
| 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. |
| IUPAC Name | 4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2,6-ditert-butylphenol |
| Molecular Weight | 775.20 |
| Molecular Formula | C54H78O3 |
| 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 |
| InChIKey | VSAWBBYYMBQKIK-UHFFFAOYSA-N |
| Melting Point | 248-250ºC |
| Flash Point | 240ºC |
| Purity | 98% |
| 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. |
| Complexity | 1030 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 774.595096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 57 |
| Monoisotopic Mass | 774.595096g/mol |
| Physical State | White powder |
| Rotatable Bond Count | 12 |
| Vapor Pressure | 5.02E-22mmHg at 25°C |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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