Table 2.
Acute toxicity of guaiacol, catechol, and its nitrated products (mg/L): tabular view of toxicological predictions obtained from ECOSAR software for 96-h exposed fish and obtained experimental values for 96-h exposed zebrafish D. rerio embryos.
| (a) | Tested compounds | Experimental data | Ecotoxicological predictions |
|---|---|---|---|
| LC50 96-h (mg/L) | LC50 96-h fish (mg/L) | ||
| Mortality | Catechol (CAT) | 10.95 ± 0.21 | 22.23 |
| 4-Nitrocatechol (4NC) | 8.16 ± 0.10 | 18.21 | |
| Guaiacol (GUA) | 211.40 ± 2.2 | 68.73 | |
| 5-Nitroguaiacol (5NG) | 75.96 ± 1.92 | 46.87 | |
| 4,6-Dinitroguaiacol (4,6DNG) | 25.82 ± 0.64 | 20.39 |
| (b) | Tested compounds | EC50 96-h (mg/L) | |
|---|---|---|---|
| Developmental abnormalities | Catechol (CAT) | 11.49 ± 0.32 | |
| 4-Nitrocatechol (4NC) | 4.95 ± 0.10 | ||
| Guaiacol (GUA) | 177.80 ± 3.30 | ||
| 5-Nitroguaiacol (5NG) | 59.42 ± 1.64 | ||
| 4,6-Dinitroguaiacol (4,6DNG) | 25.80 ± 1.74 | ||
| Unhatching | Catechol (CAT) | 13.03 ± 0.43 | |
| Guaiacol (GUA) | > 300* | ||
| 4-Nitrocatechol (4NC) | 6.23 ± 0.29 | ||
| 5-Nitroguaiacol (5NG) | 56.80 ± 5.39 | ||
| 4,6-Dinitroguaiacol (4,6DNG) | 19.70 ± 0.76 | ||
Predicted values were obtained from ECOSAR v2.0 software (https://www.epa.gov/tsca-screening-tools/ecological-structure-activity-relationships-ecosar-predictive-model).
*Maximal effect not reached.