Molecule ID: 10885

IUPAC Name: 2-methylpropyl butanoate

Description: The molecule is a butyrate ester resulting from the formal condensation of butanoic acid with isobutanol. It is used as a food flavour ingredient for apple, banana, peach and pinapple flavours in ice cream and confectionery. It has a role as a metabolite and a flavouring agent. It derives from an isobutanol.

SMILES: CCCC(=O)OCC(C)C

SELFIES: [C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C]

InChI: InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 2.3