HuagongsheHuagongshe Chemistry Print Report · For research reference only
Sebacil
Sebacile · NISTC96015 · 1,2-Cyclodecanedione · cyclodecane-1,2-dione
Identifiers & Physical Properties
| CAS No. | 96-01-5 |
|---|---|
| Molecular formula | C10H16O2 |
| Average molar mass | 168.23 g/mol |
| Monoisotopic mass | 168.11502975 g/mol |
| SMILES | O=C1CCCCCCCCC1=O |
| InChIKey | HLPUHEJQIIHQDF-UHFFFAOYSA-N |
| PubChem CID | 96839 |
| DTXSID | DTXSID00242064 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 34.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 153 |
| Melting point | 40-41° |
| Boiling point | bp18 120-125°bp10 104-105° |
| Density | 0.9812 (rough estimate) |
| Refractive index | 1.4578 (estimate) |
| FDA UNII | 61P59MCH0P |