Table 7.
Neighborhood for target chemical: Trimethylene glycol diacrylate
| Name | CAS | Similarity | Expt LD50 (log molar | Expt LD50 (mg/kg) |
|---|---|---|---|---|
| Trimethylene glycol diacrylate (target) | 17831-71-9 | 1.0 | −0.4296 | 813 (GenRA prediction 813) |
| Triethylene glycol diacrylate | 1680-21-3 | 1.0 | −0.2890 | 500 |
| Diethylene glycol diacrylate | 4074-88-8 | 0.958 | −0.0671 | 250 |
| 2-Ethoxyethyl acrylate | 106-74-1 | 0.733 | −0.8705 | 1070 |
| Ethylene acrylate | 2274-11-5 | 0.72 | −0.2463 | 300 |
| 2-Methoxyethyl acrylate | 3121-61-7 | 0.633 | −0.4920 | 404 |
| 2-Hydroxyethyl acrylate | 818-61-1 | 0.533 | −0.6739 | 548 |
| 1,4-Butanediol diacrylate | 1070-70-8 | 0.533 | −0.4715 | 587 |
| 2-Chloroethyl acrylate | 2206-89-5 | 0.516 | −0.1264 | 180 |
| Butyl acrylate | 141-32-2 | 0.515 | −0.8465 | 900 |
| 2-(Dimethylamino)ethyl acrylate | 2439-35-2 | 0.5 | −0.5021 | 4565 |