Application of property-activity relationships and structure-activity relationships to flavour research. part iii. correlation of flavour thresholds of compounds in beer with molecular connectivity.
Molecular connectivity is a simply calculated index related to molecular branching and hence the size and shape of a given compound. The first order connectivity index correlates with perception threshold concentrations for compounds tested in beer. Structure/threshold relationships of the type developed in this paper should be useful for predicting the thresholds of untested compounds.
Keywords: acid alcohol beer carbonyl compound ester fatty acid flavour molecular structure organic compound taste threshold value