| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM3602559-1 |
| Product Name | 2-Tert-Butyl-1,4-Benzoquinone |
| CAS | 3602-55-9 |
| Structure |  |
| Synonyms | 2-Tert-butyl-p-benzoquinone |
| IUPAC Name | 2-Tert-butylcyclohexa-2,5-diene-1,4-dione |
| Molecular Weight | 164.20 |
| Molecular Formula | C10H12O2 |
| Canonical SMILES | CC(C)(C)C1=CC(=O)C=CC1=O |
| InChI | InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3 |
| InChIKey | NCCTVAJNFXYWTM-UHFFFAOYSA-N |
| Boiling Point | 227.8±15.0 °C |
| Melting Point | 54-58 °C |
| Flash Point | 82.6 °C |
| Purity | 98% |
| Complexity | 288 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.083729621 |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 164.083729621 |
| Physical State | Yellow crystalline powder |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.1 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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