HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Methylheptadecan-1-ol
Einecs 219-645-6 · 2-methylheptadecan-1-ol · 1-Heptadecanol, 2-methyl-
Identifiers & Physical Properties
| CAS No. | 2490-42-8 |
|---|---|
| Molecular formula | C18H38O |
| Average molar mass | 270.5 g/mol |
| Monoisotopic mass | 270.29226584 g/mol |
| SMILES | CCCCCCCCCCCCCCCC(C)CO |
| InChIKey | DMNPDGLMNXDSPT-UHFFFAOYSA-N |
| PubChem CID | 102829 |
| EC No. | 219-645-6 |
| DTXSID | DTXSID10947790 |
Chemical & Physical Properties
| XLogP | 8.3 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 15 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 156 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Boiling point | 331.6±10.0 °C(Predicted) |
| Density | 0.836±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 15.04±0.10(Predicted) |