Environmental Science & Technology 2011-08-15

Kinetics and products of the reaction of OH radicals with 3-methoxy-3-methyl-1-butanol.

Sara M Aschmann, Janet Arey, Roger Atkinson

Index: Environ. Sci. Technol. 45(16) , 6896-901, (2011)

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Abstract

3-Methoxy-3-methyl-1-butanol [CH(3)OC(CH(3))(2)CH(2)CH(2)OH] is used as a solvent for paints, inks, and fragrances and as a raw material for the production of industrial detergents. A rate constant of (1.64 ± 0.18) × 10(-11) cm(3) molecule(-1) s(-1) for the reaction of 3-methoxy-3-methyl-1-butanol with OH radicals has been measured at 296 ± 2 K using a relative rate method, where the indicated error is the estimated overall uncertainty. Acetone, methyl acetate, glycolaldehyde, and 3-methoxy-3-methylbutanal were identified as products of the OH radical-initiated reaction, with molar formation yields of 3 ± 1%, 35 ± 9%, 13 ± 3%, and 33 ± 7%, respectively, at an average NO concentration of 1.3 × 10(14) molecules cm(-3). Using a 12-h average daytime OH radical concentration of 2 × 10(6) molecules cm(-3), the calculated lifetime of 3-methoxy-3-methyl-1-butanol with respect to reaction with OH radicals is 8.5 h. Potential reaction mechanisms are discussed.