Summary of the Analyses with Concentration in μg/mL of the Ethanol Extracts (Water Extracts) Obtained after Semi-quantification and Quantification (GC-MS) and Quantification (Target LC-HRMS): a = < LOQ to 0.1; b = 0.1 to 1.0; c = 1.0 to 10, d = 10 to 50 μg/cm2
| Compounds | Identification Level | CAS | 1 | 2 | 3 | 4 | 5 | 6 | Technique (-MS) |
|---|---|---|---|---|---|---|---|---|---|
| PP-related antioxidants & antioxidant degradants | |||||||||
| Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate (PAO1) | Confirmed | 27676-62-6 | a | - | - | - | - | b | GC, LC |
| Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) (PAO2) | Confirmed | 6683-19-8 | a | a | a | a | a | a | LC |
| Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate (PAO3) | Confirmed | 2082-79-3 | a | a | a | a | - | - | GC, LC |
| Tris(2,4-di-tert-butylphenyl) phosphite (SAO1) | Confirmed | 31570-04-4 | b | b | b | b | a | b | GC, LC |
| Didodecyl 3,3'-thiodipropionate (SAO2) | Confirmed | 123-28-4 | - | - | - | b | - | - | GC, LC |
| Dioctadecyl 3,3'-thiodipropionate (SAO3, very late eluting) | Confirmed | 693-36-7 | - | - | b | - | - | - | LC |
| Tris(2,4-di-tert-butylphenyl)phosphate | Confirmed | 95906-11-9 | b | b | b | b | a | b | GC, LC |
| Bis(2,4-di-tert-butylphenyl)phosphate (bDtBPP) | Confirmed | 69284-93-1 | a | a | - | - | - | - | LC |
| Ethyl 3-mercaptopropionate | Confirmed | 5466-06-8 | - | - | - | b | - | - | GC |
| 2,4-Di-tert-butylphenol | Confirmed | 96-76-4 | a | a | a | a | a | - | GC, LC |
| Dodecyl-3-mercaptopropionate | Confident | 6380-71-8 | - | - | - | b | - | - | GC |
| Fenozan acid | Confirmed | 20170-32-5 | - | - | - | a | - | - | LC |
| Dodecanol | Confirmed | 112-53-8 | - | - | a | b | a | - | GC |
| Dodecyl acrylate | Confirmed | 2156-97-0 | - | - | - | c | - | - | GC |
| Octadecyl acrylate | Confirmed | 4813-57-4 | - | - | b | - | - | - | |
| Fenozan acid ethyl ester | Confident | 36294-24-3 | - | - | - | a | - | - | GC |
| Other PP-related compounds | |||||||||
| Oleamide | Confirmed | 301-02-0 | a | a | a | a | LC | ||
| Erucamide | Confirmed | 112-86-7 | b | a | a | a | a | a | LC |
| Stearic acid | Confirmed | 57-11-4 | b | b | b | b | b | b | LC |
| Ethyl stearate | Confident | 111-61-5 | - | - | b | - | c | - | GC |
| Branched & linear alkanes sum; number signals | Confident | b; 8 | b; 7 | b; 7 | b; 9 | a; 2 | a; 4 | GC | |
| Membrane-related compounds | |||||||||
| Cyclohexanol | Confirmed | 108-93-0 | - | - | - | - | a | - | GC |
| γ-Butyrolactone | Confirmed | 96-48-0 | - | b (a) | b (a) | - | b (a) | - | GC |
| N-Methyl-2-pyrrolidon | Confirmed | 872-50-4 | c (b) | a (a) | a (a) | b (a) | a (a) | - | GC |
| 2-Pyrrolidinone | Confirmed | 616-45-5 | - | - | - | - | - | a | GC |
| N-Acetylpyrrolidone | Confirmed | 932-17-2 | - | - | - | - | - | a | GC |
| Piperidine-derivative | Tentative | a (a) | - | - | - | - | - | GC | |
| Caprolactam* | Confirmed | 105-60-2 | a | d (c) | d (c) | - | d (c) | a (a) | GC, LC |
| Caprolactam-derivative | Tentative | a | a | a | GC | ||||
| Alkyl alcohols sum; number of signals | Tentative | a; 3 | a; 2 | b; 2 | b; 3 | - | GC | ||
| PEG-derivatives sum; number of signals | Tentative | - | b; 5 | b; 4 | b; 7 | b; 6 | - | GC** | |
| Diphenyl sulfone | Confirmed | 127-63-9 | c | - | - | c | - | - | GC, LC |
| Unknown compounds | |||||||||
| Laurolactam | Confirmed | 947-04-6 | - | - | - | - | b (a) | - | GC, LC |
| 1,14-Diazacyclohexacosane-2,13-dione (dimer Laurolactam) | Confident | 30204-68-3 | - | - | - | - | b | - | GC, LC |
| 1,1-Diethoxypentane | Confident | 3658-79-5 | - | a | a | a | a | - | GC |
| 1,1-Diethoxynonane | Confident | 54815-13-3 | - | a | - | - | - | - | GC |
| Diethyl adipate | Confident | 141-28-6 | - | - | - | - | a | - | GC |
| Methyl ethyl terephthalate | Confident | 22163-52-6 | - | - | - | - | b | - | GC |
| Diethyl terephthalate | Confident | 636-09-9 | - | - | - | a | c | - | GC |
| Unknowns sum; number of signals | - | - | a; 1 | a; 1 | - | a; 1 | - | GC |