Values of K oa, 1 (40°C) for benzoic acid and vanillin in e-liquid formulations.
C HA/CNic | α fb | K oa,1 | Log K oa,1 | |
Benzoic acid | ||||
JUUL ‘Cool Mint’ (5% nicotine) | 0.97* | 0.13 | 58 | 1.77 |
JUUL ‘Classic Menthol’ (5% nicotine) | 0.98* | 0.13 | 53 | 1.72 |
JUUL ‘Crème Brûlée’ (5% nicotine) | 0.97* | 0.12 | 72 | 1.86 |
JUUL ‘Fruit Medley’ (5% nicotine) | 0.99* | 0.12 | 59 | 1.77 |
JUUL ‘Cool Cucumber’ (5% nicotine) | 1.00* | 0.11 | 65 | 1.82 |
JUUL ‘Classic Tobacco’ (5% nicotine) | 1.00* | 0.11 | 65 | 1.82 |
JUUL ‘Virginia Tobacco’ (5% nicotine) | 1.00* | 0.11 | 65 | 1.82 |
JUUL “Mango” (5% nicotine) | 0.99* | 0.09 | 115 | 2.06 |
JUUL “Virginia Tobacco” (3% nicotine) | 0.94* | 0.14 | 66 | 1.82 |
JUUL ‘Mint’ (3% nicotine) | 1.04* | 0.11 | 48 | 1.68 |
Averages for JUUL | 0.99±0.03 SD | 0.12±0.01 | 67±18 | 1.81±0.10 |
43/57 PG/GL (by wt.)+nicotine+benzoic acid (final nicotine level=4.6 wt%) | 1.01 | 0.16 | 26 | 1.41 |
32/68 PG/GL (by wt.)+nicotine+benzoic acid (final nicotine level=4.6 wt%) | 1.03 | 0.14 | 31 | 1.49 |
32/68 PG/GL (by wt.)+nicotine+benzoic acid+5% (by vol.) water (final nicotine level=4.5 wt%) | 1.03 | 0.11 | 51 | 1.71 |
Vanillin | ||||
45/55 PG/GL (by wt.)+nicotine+vanillin (final nicotine level=5.1%) | 0.50 | 0.95 | 0.0058 | −2.23 |
45/55 PG/GL (by wt.)+nicotine+vanillin (final nicotine level=5.1%) | 1.02 | 0.91 | 0.0089 | −2.05 |
45/55 PG/GL (by wt.)+nicotine+vanillin (final nicotine level=4.9%) | 1.51 | 0.88 | 0.0120 | −1.92 |
Averages for vanillin | Ave.±1 SD | 0.0089±0.0025 | −2.07±0.13 |
*By liquid chromatography for both nicotine and benzoic acid, using a method discussed elsewhere.15
ave, average; C HA, total molar-based concentrations of HA; C Nic, total molar-based concentrations of nicotine; α fb, fraction of nicotine in the free-base form; GL, glycerol; PG, propylene glycol; vol., volume; wt., weight.