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10967/16 - QDB Compounds

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Yarbrough, J.W.; Schultz, T.W. Abiotic Sulfhydryl Reactivity: A Predictor of Aquatic Toxicity for Carbonyl-Containing α,β-Unsaturated Compounds. Chem. Res. Toxicol. 2007, 20, 3, 558–562.

44 compounds | Property IGC50: 40-h Tetrahymena toxicity as IGC50 [mmol/L]

ID Name IGC50 Ref Details
1 acrolein 0.013 [1] View
2 methyl acrylate 0.28 [1] View
3 ethyl acrylate 0.31 [2] View
4 vinyl acrylate 0.038 [1] View
5 n-propyl acrylate 0.3 [2] View
6 allyl acrylate 0.21 [2] View
7 propargyl acrylate 0.088 [2] View
8 n-butyl acrylate 0.3 [2] View
9 tert-butyl acrylate 4.4 [2] View
10 n-pentyl acrylate 0.29 [2] View
11 isopentyl acrylate 0.39 [2] View
12 methyl methacrylate 22 [1] View
13 ethyl methacrylate 8.6 [2] View
14 vinyl methacrylate 4.2 [2] View
15 n-propyl methacrylate 4.5 [2] View
16 isopropyl methacrylate 7.6 [2] View
17 methyl crotonate 8.3 [2] View
18 ethyl crotonate 5.8 [2] View
19 vinyl crotonate 1.4 [2] View
20 methyl tiglate 6.1 [2] View
21 methyl trans-2-octenoate 0.17 [2] View
22 methyl propiolate 0.017 [1] View
23 ethyl propiolate 0.02 [2] View
24 methyl tetrolate 0.4 [1] View
25 ethyl tetrolate 0.31 [2] View
26 methyl 2-octynoate 0.091 [2] View
27 1-penten-3-one 0.03 [2] View
28 1-hexen-3-one 0.022 [1] View
29 1-octen-3-one 0.012 [2] View
30 3-buten-2-one 0.031 [2] View
31 3-penten-2-one 0.29 [2] View
32 4-hexan-3-one 0.12 [1] View
33 3-octen-2-one 0.18 [2] View
34 4-methyl-3-penten-2-one 4.4 [2] View
35 3-methyl-3-penten-2-one 2.2 [2] View
36 3-butyn-2-one 0.011 [2] View
37 3-hexyn-2-one 0.048 [1] View
38 2-butenal 0.088 [1] View
39 2-pentenal 0.22 [2] View
40 2-hexenal 0.17 [1] View
41 2-methyl-2-pentenal 5.8 [1] View
42 4-methyl-2-pentenal 0.15 [1] View
43 2,4-hexadienal 0.18 [1] View
44 2-octenal 0.063 [2] View

Bibliography

  1. Yarbrough, J. W.; Schultz, T. W. Abiotic Sulfhydryl Reactivity: A Predictor of Aquatic Toxicity for Carbonyl-Containing α,β-Unsaturated Compounds. Chem. Res. Toxicol. 2007, 20, 558–562. http://dx.doi.org/10.1021/tx600344a

  2. Schultz, T. W.; Yarbrough, J. W. Trends in structure-toxicity relationships for carbonyl-containing α,β-unsaturated compounds. SAR QSAR Environ. Res. 2004, 15, 139–146. http://dx.doi.org/10.1080/10629360410001665839

  3. Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. http://dx.doi.org/10.1080/105172397243079