| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM88584-1 |
| Product Name | 2,5-Di-tert-butylhydroquinone |
| CAS | 88-58-4 |
| Structure |  |
| Synonyms | Di-Tertiary butylhydroquinone |
| Description | PelletsLargeCrystals |
| IUPAC Name | 2,5-Ditert-butylbenzene-1,4-diol |
| Molecular Weight | 222.32 |
| Molecular Formula | C14H22O2 |
| Canonical SMILES | CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O |
| InChI | InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3 |
| InChIKey | JZODKRWQWUWGCD-UHFFFAOYSA-N |
| Boiling Point | 321 °C |
| Melting Point | 216-218 °C |
| Flash Point | 216 °C |
| Purity | 98%+ |
| Density | 1.07 g/cm3 |
| Appearance | White to Light yellow to Light red powder to crystal |
| Complexity | 208 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.16197994 |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 222.16197994 |
| Physical State | Solid |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5 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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