| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM35074772-1 |
| Product Name | Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] |
| CAS | 35074-77-2 |
| Structure |  |
| Synonyms | Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl ester |
| IUPAC Name | 6-[3-(3,5-Ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate |
| Molecular Weight | 638.92 |
| Molecular Formula | C40H62O6 |
| Canonical SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCCCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C |
| InChI | InChI=1S/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3 |
| InChIKey | ZVVFVKJZNVSANF-UHFFFAOYSA-N |
| Boiling Point | 648.1±55.0 °C |
| Density | 1.032±0.06 g/cm3 |
| Complexity | 805 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 638.45463969 |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 638.45463969 |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 93.1 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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