American Chemical Society
es1c04004_si_001.pdf (1.75 MB)

Modeled Emission of Hydroxyl and Ozone Reactivity from Evaporation of Fragrance Mixtures

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journal contribution
posted on 2021-11-16, 17:19 authored by James F. Hurley, Elizabeth Smiley, Gabriel Isaacman-VanWertz
Volatile chemical products (VCPs) account for increasing fractions of organic carbon emitted to the atmosphere, particularly in urban areas. Fragrances are potentially reactive components that are added to many VCPs. To better constrain these emissions, 11 commercially available liquid fragrance mixtures were characterized for their composition and their evaporation modeled. Emissions of mass, hydroxyl reactivity, and ozone reactivity were estimated by modeling under four different scenarios. Fragrance compounds were generally less than one-half the mass of fragrance mixtures, with the balance comprised of solvents and plasticizers and unresolved mass thought to be dominated by plasticizers. The results showed that terpenes and terpenoids account for nearly all of the emitted mass and reactivity while only comprising ∼10% w/w on average of the liquid fragrance mixtures. Most of the reactivity is emitted within hours, with ozone reactivity evolving more rapidly than OH reactivity and comprised almost entirely of terpenes. Limonene, a common fragrance constituent, dominates the reactivity of emitted carbon. Generally, 20–40% of the potential hydroxyl reactivity contained in the fragrance mixture does not evaporate on time scales sufficient to have an impact on local or regional air quality.