| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM128392-1 |
| Product Name | 2,6-Bis(tert-butyl)phenol |
| CAS | 128-39-2 |
| Structure |  |
| Synonyms | 2,6-Di-t-butylphenol |
| IUPAC Name | 2,6-Ditert-butylphenol |
| Molecular Weight | 206.32 |
| Molecular Formula | C14H22O |
| Canonical SMILES | CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O |
| InChI | InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3 |
| InChIKey | DKCPKDPYUFEZCP-UHFFFAOYSA-N |
| Boiling Point | 253 °C |
| Melting Point | 34-37 °C |
| Flash Point | 245 °F |
| Density | 0.91 g/cm3 |
| Complexity | 184 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.167065321 |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 206.167065321 |
| Physical State | White to light yellow crystalline solid |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2 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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