Acta Cryst. (2002). E58, o442-o444  [ doi:10.1107/S1600536802004774 ]

Butyl gallate dihydrate

N. Okabe and H. Kyoyama

Abstract: In the crystal structure of the title compound, 3,4,5-trihydroxybenzoic acid n-butyl ester dihydrate, C₁₁H₁₄O₅·2H₂O, the molecule is essentially in a planar conformation with a fully extended trans zigzag butyl ester group. There are two intramolecular hydrogen bonds between hydroxyl groups. The crystal structure is stabilized by the stacking interactions between gallate head groups, i.e. the 3,4,5-trihydroxybenzene part of butyl gallate, the hydrophobic interactions between alkyl groups, and all available intermolecular hydrogen bonds.

Online 22 March 2002

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