Showing Metabocard for 3-decanol (BASm0012611)
| Common Name | 3-decanol |
|---|---|
| Description | 3-Decanol (CAS: 1565-81-7), also known as 3-hydroxydecane or 1-ethyl-1-octanol, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. 3-Decanol is a flavouring ingredient. |
| Structure | |
| Molecular Formula | C10H22O |
| Average Mass | 158.28500 |
| Monoisotopic Mass | 158.16707 |
| IUPAC Name | decan-3-ol |
| Traditional Name | Decan-3-ol |
| CAS Registry Number | 138256-81-2 |
| SMILES | CCCCCCCC(O)CC |
| InChI Identifier | InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3/t10-/m1/s1 |
| InChI Key | ICEQLCZWZXUUIJ-SNVBAGLBSA-N |
| CHEBI ID | CHEBI:195405 |
| HMDB ID | HMDB0031408 |
| State | Not Available |
| Water Solubility | 1.25e-01 g/l |
| logP | 4.11 |
| logS | -3.10 |
| pKa (Strongest Acidic) | 18.25 |
| pKa (Strongest Basic) | -1.38 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 20.23 Ų |
| Rotatable Bond Count | 7 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 49.48 m³·mol⁻¹ |
| Polarizability | 21.35 |