Showing Metabocard for hexan-1-ol (BASm0007617)
| Common Name | Hexan-1-ol |
|---|---|
| Description | 1-Hexanol is an organic alcohol with a six carbon chain and a condensed structural formula of CH3(CH2)5OH. This colorless liquid is slightly soluble in water, but miscible with ether and ethanol. Two additional straight chain isomers of 1-hexanol exist, 2-hexanol and 3-hexanol, both of which differ by the location of the hydroxyl group. Many isomeric alcohols have the formula C6H13OH. 1-hexanol is believed to be a component of the odour of freshly mown grass. It is used in the perfume industry. |
| Structure | |
| Molecular Formula | C6H14O |
| Average Mass | 102.17480 |
| Monoisotopic Mass | 102.10447 |
| IUPAC Name | hexan-1-ol |
| Traditional Name | 1-hexanol |
| CAS Registry Number | 111-27-3 |
| SMILES | CCCCCCO |
| InChI Identifier | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| InChI Key | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:87393 |
| HMDB ID | HMDB0012971 |
| State | Not Available |
| Water Solubility | 8.22e+00 g/l |
| logP | 2.03 |
| logS | -1.09 |
| 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 | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 31.34 m³·mol⁻¹ |
| Polarizability | 13.27 |