Böhme, A.; Thaens, D.; Schramm, F.; Paschke, A.; Schüürmann, G. Thiol Reactivity and Its Impact on the Ciliate Toxicity of α,β-Unsaturated Aldehydes, Ketones, and Esters. Chem. Res. Toxicol. 2010, 23, 12, 1905–1912.

46 compounds | Property logIGC50: 48-h Tetrahymena toxicity as log(IGC50) [log(mol/L)]

ID	Name	logIGC50	Ref	Details
1	2-octynal	-4.72	[1]	View
2	phenyl propiolaldehyde	-4.34	[1]	View
3	methyl acrolein	-3.67	[1]	View
4	2-ethyl acrolein	-3.91		View
5	trans-2-pentenal	-3.66		View
6	trans-2, cis-6 nonadienal	-4.34		View
7	trans-2-octenal	-4.20		View
8	4-methyl-2-pentenal	-3.82		View
9	trans-2-decenal	-4.85		View
10	trans,trans-2,4-hexadienal	-3.75		View
11	trans,trans-2,4-heptadienal	-3.86		View
12	trans,trans-2,4-nonadienal	-4.23		View
13	3-methyl-2-butenal	-3.09		View
14	trans-2-methyl-2-butenal	-2.86		View
15	trans-2-methyl-2-pentenal	-2.98		View
16	1-pentene-3-one	-4.52	[1]	View
17	1-hexene-3-one	-4.66		View
18	1-octene-3-one	-4.92		View
19	3-hexyne-2-one	-4.32		View
20	3-pentene-2-one	-3.54		View
21	2-octene-4-one	-4.01		View
22	2-cyclopentene-1-one	-3.64		View
23	4-hexene-3-one	-3.93		View
24	3-heptene-2-one	-3.70		View
25	3-octene-2-one	-3.74		View
26	3-nonene-2-one	-3.98		View
27	3-methyl-3-pentene-2-one	-2.66		View
28	4-methyl-3-pentene-2-one	-2.36		View
29	2-methyl-2-cyclopentene-1-one	-2.17		View
30	3-methyl-2-cyclopentene-1-one	-1.68		View
31	methyl propiolate	-4.77		View
32	ethyl propiolate	-4.70		View
33	propargyl acrylate	-4.06		View
34	allyl acrylate	-3.68		View
35	methyl acrylate	-3.55		View
36	ethyl acrylate	-3.52		View
37	n-propyl acrylate	-3.53		View
38	n-butyl acrylate	-3.52		View
39	tert-butyl acrylate	-3.27		View
40	methyl-trans-2-octenoate	-3.76		View
41	propargyl methacrylate	-2.63		View
42	methyl crotonate	-2.08		View
43	ethyl crotonate	-2.24		View
44	methyl methacrylate	-1.78		View
45	ethyl methacrylate	-2.07		View
46	methyl tiglate	-2.38		View

Bibliography

Böhme, A.; Thaens, D.; Schramm, F.; Paschke, A.; Schüürmann, G. Thiol Reactivity and Its Impact on the Ciliate Toxicity of α,β-Unsaturated Aldehydes, Ketones, and Esters. Chem. Res. Toxicol. 2010, 23, 1905–1912. https://doi.org/10.1021/tx100226n
Schultz, T. W.; Netzeva, T. I.; Roberts, D. W.; Cronin, M. T. D. Structure-Toxicity Relationships for the Effects to Tetrahymena pyriformis of Aliphatic, Carbonyl-Containing, α,β-Unsaturated Chemicals. Chem. Res. Toxicol. 2005, 18, 330–341. https://doi.org/10.1021/tx049833j
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. https://doi.org/10.1080/10629360410001665839
Netzeva, T. I.; Schultz, T. W.; Aptula, A. O.; Cronin, M. T. D. Partial Least Squares Modelling of the Acute Toxicity of Aliphatic Compounds to Tetrahymena pyriformis. SAR QSAR Environ. Res. 2003, 14, 265–283. https://doi.org/10.1080/1062936032000101501
Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. https://doi.org/10.1080/105172397243079