Showing Metabocard for ethyl butanoate (BASm0007807)
| Common Name | Ethyl butanoate |
|---|---|
| Description | Ethyl butyrate, also known as ethyl butanoate, or butyric ether, is an ester with the chemical formula CH3CH2CH2COOCH2CH3, with one oxygen having a double bond. It is soluble in propylene glycol, paraffin oil and kerosene. Ethyl butyrate is present in many fruits e.g. apple, apricot, banana, plum, tangerine etc. Ethyl butyrate is a flavouring ingredient and it can be synthesized by reacting ethanol and butyric acid. This is a condensation reaction, meaning water is produced in the reaction as a byproduct. |
| Structure | |
| Molecular Formula | C6H12O2 |
| Average Mass | 116.15830 |
| Monoisotopic Mass | 116.08373 |
| IUPAC Name | ethyl butanoate |
| Traditional Name | Ethyl butyrate |
| CAS Registry Number | 105-54-4 |
| SMILES | CCCC(=O)OCC |
| InChI Identifier | InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3 |
| InChI Key | OBNCKNCVKJNDBV-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:88764 |
| HMDB ID | HMDB0033889 |
| State | Not Available |
| Water Solubility | 1.18e+01 g/l |
| logP | 1.80 |
| logS | -0.99 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -7.03 |
| 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 | 31.39 m³·mol⁻¹ |
| Polarizability | 13.24 |