Prediction values of (LC50) (96 h) fathead minnow and Ames mutagenicity for ACT by-productsa.
| Name | Chemical structure | The percentage of the frequent by-products out of 64 studies | Fathead minnow, LC50 (96 h) | Ames mutagenicity | |||||
|---|---|---|---|---|---|---|---|---|---|
| Photo catalytic% | Sulfate radical-AOP% | EO% | Other AOP process% | −log (mol L−1) | Predicted value (mg L−1) | Experimental result | Predicted result | ||
| Toxic compounds | |||||||||
| Benzaldehyde |
|
a | a | 8% | 8% | 2.98 | 6.82 | a | Mutagenicity negative |
| Harmful compounds | |||||||||
| Hydroquinone |
|
66% | 67% | 62% | 58% | 3.81 | 17.16 | Mutagenicity negative | Mutagenicity negative |
| N-(3,4-Dihydroxyphenyl)formamide |
|
a | 17% | a | a | 3.52 | 45.86 | a | Mutagenicity negative |
| 4-Methylbenzene-1,2-diol |
|
a | 17% | a | a | 3.65 | 27.57 | Mutagenicity negative | Mutagenicity negative |
| Benzoquinone |
|
37% | 33% | 62% | 33% | 3.49 | 35.11 | Mutagenicity negative | Mutagenicity negative |
| 4-Aminophenol |
|
30% | 42% | 8% | 25% | 3.30 | 54.55 | Mutagenicity negative | Mutagenicity negative |
| Benzoic acid |
|
11% | a | 15% | 8% | 3.21 | 75.43 | Mutagenicity negative | Mutagenicity negative |
| 1,2,4-Trihydroxybenzene |
|
18% | 8% | 8% | a | 3.01 | 24.64 | Mutagenicity negative | Mutagenicity negative |
| 4-Nitrophenol |
|
7% | 25% | a | a | 1.93 | 19.02 | Mutagenicity negative | Mutagenicity negative |
| 4-Aminobenzene-1,2-diol |
|
a | 16% | a | a | 3.86 | 43.18 | Mutagenicity negative | Mutagenicity negative |
| Harmless compounds | |||||||||
| Hydroxy-acetic acid |
|
7% | a | 8% | 17% | 1.60 | 1904.50 | Mutagenicity negative | Mutagenicity negative |
| Malonic acid |
|
15% | 8% | 15% | 8% | 2.17 | 704.59 | Mutagenicity negative | Mutagenicity positive |
| Succinic acid |
|
a | a | a | 8% | 2.51 | 367.61 | a | Mutagenicity negative |
| Malic acid |
|
11% | a | 8% | 8% | 2.40 | 529.53 | a | Mutagenicity negative |
| Acetamide |
|
26% | 8% | 31% | 33% | 1.97 | 637.40 | Mutagenicity negative | Mutagenicity negative |
| Tartronic acid |
|
4% | a | a | 8% | 2.27 | 644.64 | a | Mutagenicity negative |
| Maleic acid |
|
19% | a | 8% | 17% | 2.59 | 298.69 | Mutagenicity negative | Mutagenicity negative |
| Oxalic acid |
|
19% | a | 38% | a | 2.18 | 592.91 | Mutagenicity negative | Mutagenicity negative |
| Oxamic acid |
|
19% | a | 15% | 8% | 2.23 | 520.93 | a | Mutagenicity negative |
| Butyric acid |
|
7% | a | a | a | 2.29 | 448.12 | Mutagenicity negative | Mutagenicity negative |
| Acetic acid |
|
15% | a | 23% | 50% | 2.66 | 132.49 | Mutagenicity negative | Mutagenicity negative |
| N-(3,4-Dihydroxyphenyl) acetamide |
|
14% | 8% | 8% | a | 3.71 | 125.65 | Mutagenicity positive | Mutagenicity negative |
| 4-Heptanol |
|
a | a | 15% | a | a | 122.16 | a | a |
| Ethylamine |
|
a | a | 8% | 8% | 4.19 | 525.21 | Mutagenicity negative | Mutagenicity negative |
| Hydroxyacetone |
|
a | a | 15% | a | a | 3589.95 | a | a |
| N-(2,4-Dihydroxyphenyl) acetamide |
|
a | a | 8% | 8% | 1.31 | 113.70 | a | Mutagenicity positive |
| Unknown toxicity values | |||||||||
| ACT dimer |
|
11% | a | a | 8% | 3.46 | a | a | Mutagenicity negative |
| 2-(Acetylamino)-2-propenoic acid |
|
a | 16% | a | a | a | a | a | a |
| 2-Hydroxy-4-(N-acetyl) aminophenol |
|
7% | a | a | a | a | a | a | a |
| Formic acid |
|
11% | 17% | 15% | 50% | a | a | Mutagenicity negative | Mutagenicity negative |
a
Data not available.