Showing Metabocard for decan-1-ol (BASm0001626)
| Common Name | Decan-1-ol |
|---|---|
| Description | 1-Decanol, or decyl alcohol, is a straight chain fatty alcohol with ten carbon atoms and the molecular formula CH3(CH2)9OH. It is a colorless viscous liquid that is insoluble in water. 1-Decanol has a strong odour. Decanol is used in the manufacture of plasticizers, lubricants, surfactants and solvents. Decanol causes a high irritability to skin and eyes, when splashed into the eyes it can cause permanent damage. Also inhalation and ingestion can be harmful, it can also function as a narcotic. It is also harmful to the environment. |
| Structure | |
| Molecular Formula | C10H22O |
| Average Mass | 158.28110 |
| Monoisotopic Mass | 158.16707 |
| IUPAC Name | decan-1-ol |
| Traditional Name | 1-decanol |
| CAS Registry Number | 112-30-1 |
| SMILES | CCCCCCCCCCO |
| InChI Identifier | InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3 |
| InChI Key | MWKFXSUHUHTGQN-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:28903 |
| HMDB ID | HMDB0011624 |
| State | Not Available |
| Water Solubility | 4.92e-02 g/l |
| logP | 4.24 |
| logS | -3.51 |
| pKa (Strongest Acidic) | 16.84 |
| pKa (Strongest Basic) | -1.99 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 20.23 Ų |
| Rotatable Bond Count | 8 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 49.74 m³·mol⁻¹ |
| Polarizability | 21.63 |