| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM1879090-1 |
| Product Name | 2,4-Dimethyl-6-tert-butylphenol |
| CAS | 1879-09-0 |
| Structure |  |
| Synonyms | 6-Tert-butyl-2,4-xylenol |
| IUPAC Name | 2-Tert-butyl-4,6-dimethylphenol |
| Molecular Weight | 178.27 |
| Molecular Formula | C12H18O |
| Canonical SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C |
| InChI | InChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3 |
| InChIKey | OPLCSTZDXXUYDU-UHFFFAOYSA-N |
| Boiling Point | 249 °C |
| Melting Point | 22 °C |
| Flash Point | 112 °C |
| Purity | 99% |
| Complexity | 169 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.135765193 |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 178.135765193 |
| Physical State | Colourless liquid or white crystals |
| Rotatable Bond Count | 1 |
| 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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