Atmospheric degradation of 3-ethoxy-1-propanol by reactions with Cl, OH and NO3.

Inmaculada Aranda, Sagrario Salgado, Pilar Martín, Florentina Villanueva, Ernesto Martínez, Beatriz Cabañas

Chemosphere 2021 Oct

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An experimental kinetic and mechanistic study of the reactions of 3-ethoxy-1-propanol (CH3CH2OCH2CH2CH2OH) with Cl atoms and OH and NO3 radicals has been carried out at room temperature and atmospheric pressure. FTIR (Fourier Transform Infrared Spectroscopy) and GC-MS (Gas Chromatography/Mass Spectrometry) were used as detection techniques. The rate coefficients were measured with a relative method (units cm3 molecule-1 s-1): (3.46 ± 0.22) × 10-10, (3.48 ± 0.19) × 10-11 and (1.08 ± 0.07) × 10-14 for Cl, OH and NO3 reactions, respectively. Qualitative and quantitative products analysis was carried out and formaldehyde, ethyl formate, ethyl 3-hydroxypropanoate and nitrated compounds were positively identified. A reaction mechanism has been proposed which involves attack by the oxidant at the methylene group in the α-position to an oxygen atom of the ether or alcohol groups, followed by the subsequent reactions of the resulting radicals. The tropospheric reactivity of 3-ethoxy-1-propanol (3E1P) has been compared with the reactivity of other hydroxy ethers to extend our knowledge of this type of compound. The atmospheric implications for 3E1P have been established by estimating parameters such as lifetimes, global warming potential (GWP) and the Photochemical Ozone Creation Potential (POCPE). According to the calculated tropospheric lifetimes, the dominant loss process of 3E1P is its daytime reaction with the OH radical and this has an impact on a local scale. Copyright © 2021 Elsevier Ltd. All rights reserved.

Citation

Inmaculada Aranda, Sagrario Salgado, Pilar Martín, Florentina Villanueva, Ernesto Martínez, Beatriz Cabañas. Atmospheric degradation of 3-ethoxy-1-propanol by reactions with Cl, OH and NO3. Chemosphere. 2021 Oct;281:130755