Table 2.
Data used for calculating the systemic lowest observed adverse effect levels (LOAEL) for Di(2-ethylhexyl) phthalate using GenRA. The table shows the target chemical, Di(2-ethylhexyl) phthalate in the first row and the ten nearest neighbors in ToxRefDB 2 in descending order of similarity. The columns show the chemical name (Name), the DSSTox substance identifier (DSSTox SID), the Chemical Abstracts registry number (CAS RN), the molecular weight of the chemical (Mol Weight), the Jaccard similarity and the systemic LOAEL.
| Name | DSSTox SID | CAS RN | Mol Weight | Jaccard similarity | Systemic LOAEL |
|---|---|---|---|---|---|
| Di(2-ethylhexyl) phthalate | DTXSID5020607 | 117-81-7 | 390.564 | 1 (target) | 3.002148 |
| Bis(2-ethylhexyl) terephthalate | DTXSID7027625 | 6422-86-2 | 390.564 | 0.612245 | 2.812554 |
| Diisobutyl phthalate | DTXSID9022522 | 84-69-5 | 278.348 | 0.510638 | 2.666437 |
| Dibutyl phthalate | DTXSID2021781 | 84-74-2 | 278.348 | 0.489796 | 2.306154 |
| Dipentyl phthalate | DTXSID5031131 | 131-18-0 | 306.402 | 0.470588 | 4.805956 |
| Di(2-ethylhexyl) adipate | DTXSID0020606 | 103-23-1 | 370.574 | 0.461538 | 2.150474 |
| Diethyl phthalate | DTXSID7021780 | 84-66-2 | 222.24 | 0.456522 | 2.533993 |
| Dihexyl phthalate | DTXSID6025068 | 84-75-3 | 334.456 | 0.45283 | 2.621514 |
| Dioctyl phthalate | DTXSID1021956 | 117-84-0 | 390.564 | 0.436364 | 2.714783 |
| Picloram-isoctyl | DTXSID3039406 | 2695220-5 | 353.67 | 0.430769 | 3.111143 |
| 2,4-D 2-EHE | DTXSID4034235 | 1928-43-4 | 333.25 | 0.385714 | 4.045649 |