| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM67845936-2 |
| Product Name | 3,5-Di-tert-butyl-4-hydroxybenzoic acid hexadecyl ester |
| CAS | 67845-93-6 |
| Structure |  |
| Synonyms | Hexadecyl 3,5-bis-tert-butyl-4-hydroxybenzoate |
| IUPAC Name | Hexadecyl 3,5-ditert-butyl-4-hydroxybenzoate |
| Molecular Weight | 474.8 |
| Molecular Formula | C31H54O3 |
| Canonical SMILES | CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| InChI | InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3 |
| InChIKey | NZYMWGXNIUZYRC-UHFFFAOYSA-N |
| Boiling Point | 539.2±50.0 °C |
| Melting Point | 59-61 °C |
| Purity | 98%+ |
| Density | 0.936±0.06 g/cm3 |
| Complexity | 504 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 474.40729558 |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 474.40729558 |
| Physical State | Solid |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 46.5 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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