Table 3.
Input and completed values (shaded) for solvents that were not fully characterized. Green color indicate predicted values.
| Solvent | CAS Number | Oral LD50 (mg kg−1) | Inhalation LC50 (ppm) | Fish LC50 (mg dm−3) | BOD t1/2 (days) | log BCF | |
|---|---|---|---|---|---|---|---|
| 1 | Cyclopentane | 287-92-3 | 11,400 | 57,377 | 100 | 10.6 | 1.61 |
| 2 | Octane | 111-65-9 | 7930 | 25,260 | 100 | 13.7 | 3.289 |
| 3 | Nonane | 111-84-2 | 218 | 3200 | 6.5 | 16.4 | 2.651 |
| 4 | Decane | 124-18-5 | 5000 | 1369 | 500 | 40.0 | 2.158 |
| 5 | Tridecane | 629-50-5 | 5000 | 41 | 0.9 | 18.2 | 2.979 |
| 6 | Tetradecane | 629-59-4 | 15,000 | 5001 | 1000 | 38.7 | 3.036 |
| 7 | Pentadecane | 629-62-9 | 5000 | 5001 | 100.1 | 39.6 | 2.34 |
| 8 | 1-pentene | 109-67-1 | 3197 | 21,800 | 90.7 | 17.0 | 1.349 |
| 9 | 1-hexene | 646-04-8 | 10,000 | 32,000 | 5.6 | 10.7 | 1.91 |
| 10 | 1-heptene | 592-76-7 | 5000 | 27,986 | 175 | 12.6 | 2.372 |
| 11 | 1-octene | 111-66-0 | 10,000 | 8500 | 6.8 | 9.3 | 2.819 |
| 12 | 1-nonene | 124-11-8 | 4390 | 7116 | 5.0 | 9.6 | 3.266 |
| 13 | Pentanol | 71-41-0 | 2200 | 6119 | 370 | 4 | 0.463 |
| 14 | oleic alcohol | 143-28-2 | 9604 | 13,049 | 46.7 | 9.0 | 2.623 |
| 15 | 1,3-di-iso-propoxy-2-propanol | 13021-54-0 | 1267 | 2725 | 33.5 | 1.6 | 0.5 |
| 16 | 1,3-dimethoxypropan-2-ol | 1393 | 3794 | 104.7 | 2.5 | 0.5 | |
| 17 | 1,3-di-n-butoxy-2-propanol | 1130 | 885 | 69.4 | 2.1 | 0.603 | |
| 18 | 1-ethoxy-3-iso-propoxy-2-propanol | 1256 | 1889 | 377.7 | 4.3 | 0.5 | |
| 19 | 1-methoxy-3-(propan-2-yloxy)propan-2-ol | 1498 | 2945 | 160.8 | 2.1 | 0.5 | |
| 20 | 1-n-butoxy-3-ethoxy-2-propanol | 2220 | 2347 | 232.2 | 1.8 | 0.5 | |
| 21 | 1-n-butoxy-3-iso-propoxy-2-propanol | 3047 | 4273 | 188.0 | 1.5 | 0.168 | |
| 22 | 1-n-butoxy-3-methoxy-2-propanol | 1883 | 2582 | 197.6 | 2.1 | 0.5 | |
| 23 | 1-tert-butoxy-3-ethoxy-2-propanol | 2568 | 4601 | 97.1 | 1.3 | 0.5 | |
| 24 | 1-tert-butoxy-3-methoxy-2-propanol | 1477 | 3305 | 35.3 | 1.4 | 0.5 | |
| 25 | 3-butoxypropane-1,2-diol | 3875 | 2818 | 203.4 | 1.5 | 0.5 | |
| 26 | 3-ethoxypropane-1,2-diol | 2538 | 2663 | 186.2 | 1.9 | 0.5 | |
| 27 | 3-methoxypropane-1,2-diol | 2081 | 1985 | 272.4 | 2.6 | 0.5 | |
| 28 | 3-n-butoxy-1-tert-butoxy-2-propanol | 5660 | 5167 | 51.7 | 1.4 | 0.517 | |
| 29 | Isopropylidene glycerol | 100-79-8 | 7000 | 167,197 | 16,700 | 1.3 | 0.125 |
| 30 | Methoxycyclopentane | 5614-37-9 | 1500 | 5250 | 34.9 | 6.6 | 0.721 |
| 31 | Benzyl ethyl ether | 539-30-0 | 2428 | 2625 | 38.6 | 6.6 | 1.374 |
| 32 | 1,2,3-trimethoxypropane | 1305 | 2815 | 135.8 | 5.3 | 0.5 | |
| 33 | 1,2,3-tri-n-butoxypropane | 4390 | 5001 | 261.2 | 4.5 | 2.276 | |
| 34 | 2-methylfuran | 1965 | 9352 | 94.3 | 16.0 | 0.725 | |
| 35 | 2-methyltetrahydrofuran | 4500 | 24,083 | 319.6 | 6.4 | 0.343 | |
| 36 | 3-n-butoxy-1-tert-butoxy-2-methoxypropane | 2392 | 1656 | 95.4 | 2.9 | 1.094 | |
| 37 | Isosorbide dimethyl ether | 1545 | 18,269 | 213.8 | 4.9 | 0.5 | |
| 38 | Dioxolane | 646-06-0 | 2833 | 3,7363 | 31.0 | 6.1 | 0.149 |
| 39 | Benzaldehyde | 100-52-7 | 1300 | 1304 | 1.07 | 10 | 1.1 |
| 40 | gamma-valerolactone | 108-29-2 | 2800 | 1186 | 756.6 | 7.8 | 0.5 |
| 41 | Dihydrolevoglucosenone | 2021 | 2916 | 59.3 | 4.4 | 0.5 | |
| 42 | 1,8-cineole | 470-82-6 | 2480 | 1000 | 102 | 26.4 | 1.41 |
| 43 | 3-carene | 13466-78-9 | 4800 | 8800 | 17.9 | 28 | 2.673 |
| 44 | Neryl acetate | 141-12-8 | 4550 | 5001 | 41.7 | 8.7 | 2.365 |
| 45 | Propionic acid | 79-19-4 | 3500 | 5422 | 51 | 1 | 0 |
| 46 | Ethyl formate | 1850 | 9800 | 276.6 | 15 | 0.5 | |
| 47 | Butyl levulinate | 2052-15-5 | 5000 | 5001 | 26.3 | 3.3 | 0.278 |
| 48 | Ethyl levulinate | 539-88-8 | 5000 | 4735 | 121.3 | 3.3 | 0.5 |
| 49 | Glycerol triacetate | 102-76-1 | 3000 | 5001 | 72.5 | 2.2 | 0.5 |
| 50 | Methyl caprylate | 111-11-5 | 10,800 | 9987 | 95 | 7.0 | 1.856 |
| 51 | Methyl lactate | 27871-49-4 | 5000 | 1350 | 828.6 | 11.8 | 0.5 |
| 52 | Methyl levulinate | 624-45-3 | 2051 | 2888 | 92.7 | 3.4 | 0.5 |
| 53 | Methyl linoleate | 112-63-0 | 3977 | 5001 | 4.5 | 20.4 | 3.051 |
| 54 | Isopropyl myristate | 110-27-0 | 8348 | 11,207 | 8.4 | 10.7 | 3.07 |
| 55 | Methyl oleate | 112-62-9 | 2000 | 5001 | 6.1 | 18.9 | 2.694 |
| 56 | Methyl palmitate | 112-39-0 | 4786 | 5001 | 1.8 | 9.4 | 2.789 |
| 57 | Isopropyl palmitate | 142-91-6 | 17,781 | 45,414 | 50.3 | 13.0 | 1.725 |
| 58 | Methyl stearate | 112-61-8 | 5237 | 5001 | 2.8 | 10.4 | 1.46 |
| 59 | Tributyl 2-acetylcitrate | 77-90-7 | 31,500 | 226,174 | 60 | 14 | 1.6 |
| 60 | Benzyl benzoate | 120-51-4 | 1700 | 665 | 6.2 | 5.3 | 2.357 |
| 61 | cis-1,2-dichloroethene | 156-59-2 | 1393 | 13,700 | 54.2 | 180 | 1.18 |
| 62 | 1,1-dichloroethane | 75-34-3 | 725 | 13,000 | 100.0 | 154 | 1.24 |
| 63 | 1,1,1,2-tetrachloroethane | 630-20-6 | 670 | 2100 | 20 | 134.0 | 1.559 |
| 64 | 1-chloropropane | 540-54-5 | 2000 | 14,034 | 117.8 | 30 | 0.763 |
| 65 | 1-chlorobutane | 109-69-3 | 2670 | 11,879 | 101.2 | 18.2 | 1.333 |
| 66 | 1-chloropentane | 543-59-9 | 3379 | 11,804 | 27.8 | 10.5 | 1.402 |
| 67 | Dimethyl sulphide | 75-18-3 | 535 | 5156 | 87.1 | 10.7 | 0.561 |
| 68 | Dimethyl sulfoxide | 67-68-5 | 2758 | 4291 | 36.9 | 1.6 | 0.349 |
| 69 | Diethylamine | 109-89-7 | 540 | 4000 | 218.5 | 5.0 | 0.21 |
| 70 | 2-pyrrolidone | 616-45-5 | 2030 | 1083 | 152.5 | 2.5 | 0.5 |