Showing Metabocard for butan-2-ol (BASm0001957)
| Common Name | Butan-2-ol |
|---|---|
| Description | 2-Butanol, or sec-butanol, is a chemical compound with formula C4H10O. This secondary alcohol is a flammable, colorless liquid that is soluble in 12 parts water and completely miscible with polar organic solvent such as ethers and other alcohols. |
| Structure | |
| Molecular Formula | C4H10O |
| Average Mass | 74.12160 |
| Monoisotopic Mass | 74.07316 |
| IUPAC Name | butan-2-ol |
| Traditional Name | 2-butanol |
| CAS Registry Number | 78-92-2 |
| SMILES | CCC(C)O |
| InChI Identifier | InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 |
| InChI Key | BTANRVKWQNVYAZ-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:35687 |
| HMDB ID | HMDB0011469 |
| State | Not Available |
| Water Solubility | 1.95e+02 g/l |
| logP | 0.66 |
| logS | 0.42 |
| pKa (Strongest Acidic) | 17.69 |
| pKa (Strongest Basic) | -1.62 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 20.23 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 21.95 m³·mol⁻¹ |
| Polarizability | 9.07 |