| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM13417124 |
| Product Name | Octyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamate |
| CAS | 13417-12-4 |
| Synonyms | Antioxidant 1135 |
| IUPAC Name | Octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate |
| Molecular Weight | 390.6 |
| Molecular Formula | C25H42O3 |
| Canonical SMILES | CCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| InChI | InChI=1S/C25H42O3/c1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7/h17-18,27H,8-16H2,1-7H3 |
| InChIKey | CFXCGWWYIDZIMU-UHFFFAOYSA-N |
| Boiling Point | 444.437 °C |
| Purity | 95%+ |
| Complexity | 420 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.3133952 |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 390.3133952 |
| Rotatable Bond Count | 13 |
| 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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