Limonene emission dynamics of personal care products from different surface materials
Data files
Jun 18, 2026 version files 12.18 MB
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Charmchi_Data.xlsx
12.18 MB
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README.md
3.49 KB
Abstract
Volatile organic compounds (VOCs) are important precursors to secondary organic aerosol (SOA) and ozone. Fragranced personal care products (PCPs) have been identified as important contributors to VOC emissions in urban and indoor environments, particularly as a source of limonene, which has high SOA mass yields. However, the factors controlling fragranced PCP emission dynamics from different surface types remain unclear. We quantified emission dynamics of limonene from different PCPs and surface types. Eight different monoterpenoids were identified across all PCP types, with limonene accounting for over 80% of the measured emissions in most products. Limonene also dominated the atmospheric oxidant reactivity of the emissions for all products except body wash, which had a significant oxidant reactivity contribution from linalool. The results illustrate that limonene emission dynamics from PCPs were more dependent on the surface material rather than the type of PCP, where silicone (e.g., permeable material) had the slowest emission rate and served as a limonene reservoir.
The Charmchi_Data.xlsx file contains all data published in the figures of the associated paper. Sorbent tubes were used to collect samples from the headspace of a jar containing a personal care product spread on a surface. The jar was continuously flushed with clean air and the sample was run on a thermal desorption gas chromatograph mass spectrometer for chemical analysis. The composition of the headspace for different types of personal care products is presented in Figure 2. The evaporation dynamics of limonene, a major component of the headspace, from different personal care products from different types of surfaces is presented in Figure 3. The data were used to fit a detailed multilayer kinetic model to simulate the partitioning of limonene within and out of the product surface, called KM-SUB. Model and measured limonene evaporation dynamics are presented in Figure 4. Model results of the partitioning of the limonene between the product and the air above, and the product and the surface below are shown in Figure 5.
Descriptions of the data for each figure are provided in order below with column headings and acronyms provided in parentheses after the variable description.
Figure 2 tab contains the personal care product type (product.type), compound names (compound.name), relative abundance as a percent (rel.abundance), relative ozone reaction rate as a percent (rel.ozone.rate), and relative OH radical reaction rate as a percent (rel.oh.rate)
Figure 3a tab contains the product type (where bw = bodywash; product.type), time elapsed in minutes (time), limonene mass fraction remaining (mfr) of the fit to the data (limonene.mfr.fit), and standard deviation of the model runs (stnd)
Figure 3b tab contains the surface type (surface.type), time elapsed in minutes (time), limonene mass fraction remaining (mfr) of the fit to the data (limonene.mfr.fit), and standard deviation of the model runs (stnd)
Figure 4 model tab contains the personal care product type (product.type), surface type on which it was spread (surface.type), the time since the start of jar flushing in minutes (time.minutes), modeled limonene mass fraction remaining (limonene.fraction.remaining.model)
Figure 4 measurements tab contains the type of personal care product (product.type), surface type on which it was spread (surface.type), the replicate experiment number (replicate), the time relative to the start of the first sample collection in minutes (time.minutes), and the measured limonene mass fraction remaining relative to the first measurement point (limonene.mfr)
Figure 5a tab contains the model results of the limonene concentration profile across time (in minutes) and space (distance from the product surface) for shampoo spread on a glass surface. The distance from the product surface in centimeters is provided in row 1 (distance.from.surface.cm) and time since flushing started in minutes is provided in column A (time.min). Row 2 from column B on is blank to provide space for the time.min header for Column A.
Figure 5b tab contains the model results of the limonene concentration profile across time (in minutes) and space for shampoo spread on a silicone surface. The distance from the product surface in centimeters is provided in row 1 (distance.from.surface.cm) and time since flushing started in minutes is provided in column A (time.min). Row 2 from column B on is blank to provide space for the time.min header for Column A.