Atmospheric Reactivity and Environmental Implications of 2-Propoxyethanol: Kinetic and Mechanistic Insights into Its Oxidation by OH, NO <sub>3</sub> , and Cl

High Resolution Image Download MS PowerPoint Slide Hydroxyethers (HEs) are widely used oxygenated volatile organic compounds (OVOCs). Among them, 2-propoxyethanol (CH 3 CH 2 CH 2 OCH 2 CH 2 OH, 2-PE) is of particular interest due to its extensive use and the limited mechanistic information available regarding its atmospheric degradation. These characteristics place 2-PE as a compound of emerging environmental interest and motivate a detailed investigation of its reactivity with key atmospheric oxidants. This compound is commonly used as a solvent and emulsifying agent for hydrophobic substances, and it has been proposed as a biodiesel additive. Once released into the atmosphere, 2-PE undergoes degradation processes mainly by reactions with oxidants (OH and NO 3 radicals, Cl atoms). This study provides a kinetic and mechanistic investigation of the atmospheric degradation of 2-PE using FTIR (Fourier transform infrared spectroscopy) and GC-MSTOF (gas chromatography/mass spectrometry time of flight). Rate coefficients at ambient temperature and pressure, were (units cm 3 molecule –1 s –1 ): (1.99 ± 0.12) × 10 –10, (2.54 ± 0.15) × 10 –11 and (7.20 ± 0.53) × 10 –15 for Cl, OH • and NO 3 • reactions, respectively. Detected products include formaldehyde, acetaldehyde, propyl formate, 2-hydroxyethyl formate and 2-hydroxyethyl propanoate, quantified by FTIR, and nitrated compounds detected in the presence of NO x . Based on product distributions and structure–reactivity relationships, two predominant reaction pathways are proposed, both initiated by the oxidant attack on the –CH 2 – group adjacent to the ether. Atmospheric lifetimes indicate that OH • reaction dominates the 2-PE removal. Estimated GWP and ozone formation indices confirm that 2-propoxyethanol is a short-lived VOC with limited direct climate impact, while providing a basis for comparison with structurally related glycol ethers and other VOCs.

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Journal
ACS Environmental Au
Published
2026-06-18
DOI
https://doi.org/10.1021/acsenvironau.6c00061
Primary Topic
Biodiesel Production and Applications
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article
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article

Atmospheric Reactivity and Environmental Implications of 2-Propoxyethanol: Kinetic and Mechanistic Insights into Its Oxidation by OH, NO 3 , and Cl

Sagrario Salgado, Inmaculada Aranda, Pilar Martı́n, Florentina Villanueva et al.
ACS Environmental Au
Biodiesel Production and Applications
article

Atmospheric Reactivity and Environmental Implications of 2-Propoxyethanol: Kinetic and Mechanistic Insights into Its Oxidation by OH, NO 3 , and Cl

Sagrario Salgado, Inmaculada Aranda, Pilar Martı́n, Florentina Villanueva, Beatriz Cabañas, Elena Molina
article en

Abstract

High Resolution Image Download MS PowerPoint Slide Hydroxyethers (HEs) are widely used oxygenated volatile organic compounds (OVOCs). Among them, 2-propoxyethanol (CH 3 CH 2 CH 2 OCH 2 CH 2 OH, 2-PE) is of particular interest due to its extensive use and the limited mechanistic information available regarding its atmospheric degradation. These characteristics place 2-PE as a compound of emerging environmental interest and motivate a detailed investigation of its reactivity with key atmospheric oxidants. This compound is commonly used as a solvent and emulsifying agent for hydrophobic substances, and it has been proposed as a biodiesel additive. Once released into the atmosphere, 2-PE undergoes degradation processes mainly by reactions with oxidants (OH and NO 3 radicals, Cl atoms). This study provides a kinetic and mechanistic investigation of the atmospheric degradation of 2-PE using FTIR (Fourier transform infrared spectroscopy) and GC-MSTOF (gas chromatography/mass spectrometry time of flight). Rate coefficients at ambient temperature and pressure, were (units cm 3 molecule –1 s –1 ): (1.99 ± 0.12) × 10 –10, (2.54 ± 0.15) × 10 –11 and (7.20 ± 0.53) × 10 –15 for Cl, OH • and NO 3 • reactions, respectively. Detected products include formaldehyde, acetaldehyde, propyl formate, 2-hydroxyethyl formate and 2-hydroxyethyl propanoate, quantified by FTIR, and nitrated compounds detected in the presence of NO x . Based on product distributions and structure–reactivity relationships, two predominant reaction pathways are proposed, both initiated by the oxidant attack on the –CH 2 – group adjacent to the ether. Atmospheric lifetimes indicate that OH • reaction dominates the 2-PE removal. Estimated GWP and ozone formation indices confirm that 2-propoxyethanol is a short-lived VOC with limited direct climate impact, while providing a basis for comparison with structurally related glycol ethers and other VOCs.

ACS Environmental Au
University of Castilla-La Mancha (ES)
Climate action
Openalex Percentile: Top 11%
Biodiesel Production and Applications
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