HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Ethyl-4,6-dimethylphenol
2-Ethyl-4,6-dimethylphenol · 2,4-dimethyl-6-ethylphenol

Identifiers & Physical Properties
| CAS No. | 2219-79-6 |
|---|---|
| Molecular formula | C10H14O |
| Average molar mass | 150.22 g/mol |
| Monoisotopic mass | 150.10446507 g/mol |
| SMILES | CCc1cc(C)cc(C)c1O |
| InChIKey | MXHAHSBTOVFDBK-UHFFFAOYSA-N |
| PubChem CID | 19086413 |
| DTXSID | DTXSID601311606 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 122 |
| Melting point | 46.81°C (estimate) |
| Boiling point | 227°C |
| Density | 0.9688 (estimate) |
| Refractive index | 1.5135 (estimate) |
| Henry's law constant | 2.0×100 mol/(m3Pa) at 25℃, Wang et al. (2017) |
| FDA UNII | FH36J57LG1 |