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. Author manuscript; available in PMC: 2023 Jan 10.
Published in final edited form as: Chem Res Toxicol. 2019 May 23;32(6):1241–1249. doi: 10.1021/acs.chemrestox.9b00047

Table 1.

Compounds Detected (μg per mg Aerosol Condensate)a

compound nameb low (μg mg−1) high (μg mg−1) average ± SD (μg mg−1)
IPA formaldehyde hemiacetald,h 2820 3780 3360 ± 340
4-methyl-1,3-dioxolanec 121 163 141 ± 17
4-hydroxymethyl-1,3-dioxolanec 84 127 104 ± 18
5-hydroxy-1,3-dioxanec 292 413 373 ± 42
4-hydroxymethyl-2-methyl-1,3-dioxolaned 156 183 168 ± 9
acetaldehyde diisopropyl acetald 336 621 469 ± 99
free chloridef 44 68 57 ± 10
3-chloro-1,2-propandiolc 7.6 11.8 9.5 ± 1.4
1,6-dichloro-1,6-dideoxyfructosed 3.5 5.4 4.3 ± 0.8
unidentified chlorinated compounde,g 1.4 2.0 1.7 ± 0.2
β-levoglucosand 29 34 32 ± 2
a

Detection range of target compounds represented as μg per mg aerosol condensate collected, as determined by GC/MS, GC/FID, or IC (samples 25–30, generated using a 1.2 Ω coil at 20 W comprised of 1:1 molar propylene glycol and glycerol). Free chloride was the only target analyte detected in an unvaped starting material blank (Table 2).

b

Structures are depicted in Figure 5.

c

Multipoint calibration prepared from authentic chemical standards, GC/FID peak area normalized to internal standard peak area and mass concentration calculated.

d

Analyte mass concentration estimated from GC/MS total ion chromatogram (TIC) peak area normalized to internal standard TIC peak area.

e

Multipoint calibration standard used to establish response factor from 1,3-dichloropropan-2-ol, target ion peak area extracted from GC/MS data, and normalized to internal standard extracted target ion peak area to estimate approximate analyte mass concentration.

f

IC used with multipoint calibration standard prepared from sodium chloride.

g

Spectral match identified 1,3-dichloropropanol with high certainty but retention time did not match that of an authentic chemical standard. Spectra suggest this unidentified compound is at least monochlorinated.

h

See Supporting Information for details on identification.