Showing Metabocard for butyl acetate (BASm0001806)
| Common Name | Butyl acetate |
|---|---|
| Description | n-Butyl acetate is a flavouring ingredient used in apple flavours. n-Butyl acetate, also known as butyl ethanoate, is an organic compound commonly used as a solvent in the production of lacquers and other products. It is also used as a synthetic fruit flavoring in foods such as candy, ice cream, cheeses, and baked goods. Butyl acetate is found in many types of fruit, where along with other chemicals it imparts characteristic flavors. Apples, especially of the Red Delicious variety, are flavored in part by this chemical. It is a colourless flammable liquid with a sweet smell of banana. |
| Structure | |
| Molecular Formula | C6H12O2 |
| Average Mass | 116.15830 |
| Monoisotopic Mass | 116.08373 |
| IUPAC Name | butyl acetate |
| Traditional Name | Butyl acetate |
| CAS Registry Number | 123-86-4 |
| SMILES | CCCCOC(C)=O |
| InChI Identifier | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 |
| InChI Key | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:31328 |
| HMDB ID | HMDB0031325 |
| State | Liquid |
| Water Solubility | 5.63e+00 g/l |
| logP | 1.84 |
| logS | -1.31 |
| 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 | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 31.29 m³·mol⁻¹ |
| Polarizability | 13.42 |