HuagongsheHuagongshe Chemistry Print Report · For research reference only
Phytol, (Z)-
(Z)-Phytol · Vitamin K1 Impurity 38 · Phytol Impurity 8 (cis-Phytol) · 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (2Z,7R,11R)-

Identifiers & Physical Properties
| CAS No. | 5492-30-8 |
|---|---|
| Molecular formula | C20H40O |
| Average molar mass | 296.5 g/mol |
| Monoisotopic mass | 296.3079159 g/mol |
| SMILES | C/C(=C/CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C |
| InChIKey | BOTWFXYSPFMFNR-QYLFUYDXSA-N |
| PubChem CID | 6430833 |
| ChEBI | CHEBI:140431 |
| DTXSID | DTXSID701378213 |
Chemical & Physical Properties
| XLogP | 8.2 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 13 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 255 |
| Boiling point | 335.5±0.0 °C(Predicted) |
| Density | 0.845±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.45±0.10(Predicted) |
| LogP (partition coefficient) | 8.230 (est) |
| FDA UNII | 42OMA5R73W |