cis-2-Methyl-butyl-1,3-dioxane
5-butyl-2-methyl-1,3-dioxane
Also Known As: cis-2-Methyl-butyl-1,3-dioxane|5-butyl-2-methyl-1,3-dioxane|trans-2-Methyl-5-butyl-1,3-dioxane|1,3-DIOXANE,5-BUTYL-2-METHYL-, TRANS-
CAS: 39087-22-4
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13068 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.13068 |
| Monoisotopic Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 39087-22-4 |
|---|---|
| SMILES | CCCCC1COC(OC1)C |
| InChIKey | IJCIOLXHDMCLLI-UHFFFAOYSA-N |
Product Overview
cis-2-Methyl-butyl-1,3-dioxane (CAS 39087-22-4), with molecular formula C9H18O2 and molecular weight 158.13068 g/mol. IUPAC: 5-butyl-2-methyl-1,3-dioxane.
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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