2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole
5-tert-butyl-2,2-dimethyl-1,3-benzodioxole
Also Known As: 2-Dbbd|2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole|Cyclohexanebutanoic acid, cadmium salt|5-tert-butyl-2,2-dimethyl-1,3-benzodioxole|AI3-14401|5-(tert-Butyl)-2,2-dimethylbenzo[d][1,3]dioxole|5-tert-Butyl-2,2-dimethyl-2H-1,3-benzodioxole|1,3-Benzodioxole,5-(1,1-dimethylethyl)-2,2-dimethyl-|1,3-Benzodioxole, 5-(1,1-dimethylethyl)-2,2-dimethyl-
CAS: 57258-58-9
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13068 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.13068 |
| Monoisotopic Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 57258-58-9 |
|---|---|
| SMILES | CC1(OC2=C(O1)C=C(C=C2)C(C)(C)C)C |
| InChIKey | ZIRCLOZJQPLYSS-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-5-tert-butyl-1,3-benzodioxole (CAS 57258-58-9), with molecular formula C13H18O2 and molecular weight 206.13068 g/mol. IUPAC: 5-tert-butyl-2,2-dimethyl-1,3-benzodioxole.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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