Table 5.
Substances found in PET bottles originally used for shampoo 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 | 24 | 25 | 26 | 27 | 28 | 29 | Mean 24–29 | |
| Ethanol (78.4)-64-17-5 | 1.8 | x | - | - | 1110 | 185 | |||||||
| 2-Butanone (79.6)-78-93-3 | 2.1 | x | - | - | 4.2 | 0.70 | |||||||
| 2-Methyl-1,3-dioxolane (88.1)-497-26-7 | 2.4 | x | - | - | 1.4 | 2.5 | 2.3 | 1.7 | 0.7 | 1.44 | |||
| Ethylene glycol (62.1)-107-21-1 | 2.7 | x | - | - | 3.6 | 3.2 | 4.9 | 4.6 | 4.5 | 3.47 | |||
| Benzylalcohol (108.1)-100-51-6 | 7.9 | x | - | - | 8.9 | 1.48 | |||||||
| Unknown 16 | 7.9 | ? | ? | ? | ? | ? | 1.5 | 0.25 | |||||
| Limonene (136.2)-7705-14-8 | 8.1 | x | - | - | 2.9 | 0.48 | |||||||
| Acetic acid, benzylester (150.2)-140-11-4 | 9.3 | x | - | - | 2.2 | 0.9 | 0.52 | ||||||
| 2-Hydroxybiphenyl (170.2)-90-43-7 | 12.2 | x | - | +*) | 1.8 | 0.30 | |||||||
| Unknown 17 | 12.6 | ? | ? | ? | ? | ? | 0.7 | 0.12 | |||||
x: Cramer classification; ?: classification not possible due to unknown substance; -: negative alert; +: positive alert; *) 2-Hydroxybiphenyl (o-phenyl phenol): FDA substance added to food (surface active agent; WHO/JECFA: ADI up to 0.4 mg/kg b.w.