Showing Metabocard for pentyl acetate (BASm0007614)
| Common Name | Pentyl acetate |
|---|---|
| Description | Pentyl acetate is found in apple. Pentyl acetate is a flavouring agent. |
| Structure | |
| Molecular Formula | C7H14O2 |
| Average Mass | 130.18490 |
| Monoisotopic Mass | 130.09938 |
| IUPAC Name | pentyl acetate |
| Traditional Name | Amyl acetate |
| CAS Registry Number | 628-63-7 |
| SMILES | CCCCCOC(C)=O |
| InChI Identifier | InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 |
| InChI Key | PGMYKACGEOXYJE-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:87362 |
| HMDB ID | HMDB0039095 |
| State | Liquid |
| Water Solubility | 1.73e+00 g/l |
| logP | 2.46 |
| logS | -1.88 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -6.99 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 26.3 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 35.89 m³·mol⁻¹ |
| Polarizability | 15.50 |