Products of the gas-phase reaction of the OH radical with the Dibasic ester Ch[sub 3]OC(O)CH[sub 2]CH[sub 2]CH[sub 2]C(O)OCH[sub 3]
- Univ. of California (United States). Air Pollution Research Center
Dibasic esters are potentially important commercial solvents and their use will lead to possible release into the atmosphere, where they will react with the hydroxyl (OH) radical and contribute to the formation of photochemical air pollution in urban and regional areas. The authors have investigated the products formed from the gas-phase reaction of the OH radical with the dibasic ester dimethyl glutarate [CH[sub 3]-OC(O)CH[sub 2]CH[sub 2]CH[sub 2]C(O)OCH[sub 3]] in the presence of NO in large volume chambers with analysis by in situ Fourier transform infrared (FTIR) absorption spectroscopy, in situ atmospheric pressure ionization tandem mass spectrometry (API-MS), gas chromatography with flame ionization detection, and combined gas chromatography-mass spectrometry. No information was obtained concerning the reaction products using the gas chromatographic analyses. The in situ API-MS and API-MS/MS analyses indicated the formation of products with molecular weights 146, 174, and 221, and, based on plausible reaction schemes, these could be mono-methyl glutarate [CH[sub 3]OC(O)CH[sub 2]CH[sub 2]-CH[sub 2]C(O)OH], dimethyl 1,3-acetonedicarboxylate [CH[sub 3]OC(O)-CH[sub 2]C(O)CH[sub 2]C(O)OCH[sub 3]], and/or its isomers, and an organic nitrate(s), respectively. The in situ FT-IR spectroscopic analyses were consistent with these expectations, with the identification and quantification of organic nitrate(s), mono-methyl glutarate, and dimethyl 1,3-acetonedicarboxylate with formation yields of 15 [+-] 6, 34 [+-] 16, and 28 [+-] 8 [percent], respectively. These products therefore account for 77 [+-] 19 [percent] of the total reaction products and reaction pathways, recognizing that the quantifications of mono-methyl glutarate and dimethyl 1,3-acetonedicarboxylate are subject to significant uncertainties.
- OSTI ID:
- 6092239
- Journal Information:
- Environmental Science and Technology, Vol. 33:17; ISSN 0013-936X
- Country of Publication:
- United States
- Language:
- English
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