Table 6.
Substances found in PET bottles originally used for shower gel or liquid soap products.
| Substance | GC Rt | Cramer Classification | Concentration in PET [mg/kg] | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| (mol.weight [g/mol])- | [min] | Class | Alert | Sample No. | ||||||||||
| CAS-No. | I | II | III | gtc | ngtc | 30 | 31 | 32 | 33 | 34 | 35 | 36 | Mean 30–36 | |
| Ethanol (78.4)-64-17-5 | 1.8 | x | - | - | 270 | 400 | 100 | 110 | ||||||
| Unknown 18 | 1.8 | ? | ? | ? | ? | ? | 14 | 2.0 | ||||||
| 2-Butanone (79.6)-78-93-3 | 2.1 | x | - | - | 13 | 1.86 | ||||||||
| 2-Methyl-1,3-dioxolane (88.1)-497-26-7 | 2.4 | x | - | - | 0.8 | 2.2 | 1.0 | 0.7 | 1.5 | 0.89 | ||||
| Ethylene glycol (62.1)-107-21-1 | 2.7 | x | - | - | 3.1 | 4.7 | 4.3 | 5.9 | 5.0 | 2.7 | 3.67 | |||
| Toluene (92.1)-108-88-3 | 3.9 | x | - | - | 3.4 | 0.49 | ||||||||
| Unknown 19 | 4.3 | ? | ? | ? | ? | ? | 2.3 | 0.32 | ||||||
| 2,2-dimethyl-1,3-dioxolane (102.1)-2916-31-6 | 5.0 | x | - | - | 7.8 | 1.11 | ||||||||
| Benzaldehyde (106.1)-100-52-7 | 5.8 | x | +*) | - | 0.9 | 1.29 | ||||||||
| Unknown 20 | 6.1 | ? | ? | ? | ? | ? | 4.4 | 0.63 | ||||||
| Unknown 21 | 6.3 | ? | ? | ? | ? | ? | 2.1 | 0.30 | ||||||
| Benzylalcohol (108.1)-100-51-6 | 7.9 | x | - | - | 13 | 1.86 | ||||||||
| Limonene (136.2)-7705-14-8 | 8.1 | x | - | - | 9.5 | 2.0 | 1.64 | |||||||
| Unknown 22 | 8.9 | ? | ? | ? | ? | ? | 1.6 | 0.22 | ||||||
| Unknown 23 | 9.3 | ? | ? | ? | ? | ? | 0.9 | 0.13 | ||||||
| Benzoic acid (122.1)-65-85-0 | 9.3 | x | - | - | 2.9 | 3.5 | 3.2 | 0.96 | ||||||
| 2-(Benzyloxy)ethanol (152.2)-622-08-2 | 9.9 | x | - | - | 2.0 | 0.29 | ||||||||
| Hexadecene (224.4)-629-73-2 | 12.9 | x | -- | - | 1.4 | 0.20 | ||||||||
x: Cramer classification; ?: classification not possible due to unknown substance; -: negative alert; +: positive alert; *) wrong assignment by Toxtree: benzaldehyde is not a human carcinogen and is not genotoxic.