| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM98293-1 |
| Product Name | 4-Tert-Butylcatechol |
| CAS | 98-29-3 |
| Structure |  |
| Synonyms | Tbc |
| IUPAC Name | 4-Tert-butylbenzene-1,2-diol |
| Molecular Weight | 166.22 |
| Molecular Formula | C10H14O2 |
| Canonical SMILES | CC(C)(C)C1=CC(=C(C=C1)O)O |
| InChI | InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3 |
| InChIKey | XESZUVZBAMCAEJ-UHFFFAOYSA-N |
| Boiling Point | 285 °C (lit.) |
| Melting Point | 52-55 °C |
| Flash Point | >230 °F |
| Purity | 98% |
| Density | 1.049 |
| Appearance | White Solid Turning Light Brown PURITY |
| Complexity | 148 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.099379685 |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 166.099379685 |
| Physical State | Light red liquid |
| Rotatable Bond Count | 1 |
| 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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