REPOSITORY ABOUT GUIDELINES CITING BLOG

10967/55 - QDB Compounds

QsarDB Repository

Jaworska, J.S.; Hunter, R.S.; Schultz, T.W. Quantitative Structure-Toxicity Relationships and Volume Fraction Analyses for Selected Esters. Arch. Environ. Contam. Toxicol. 1995, 29, 1, 86–93.

32 compounds | Property pIGC50: 2-day Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ID Name pIGC50 Details
1 Methyl acetate -2.001 View
2 Ethyl acetate -1.297 View
3 Propyl acetate -1.238 View
4 Butylacetate -0.486 View
5 Hexyl acetate -0.008 View
6 Ethyl benzoate 0.013 View
7 Methyl-2,5-dichloro benzoate 0.811 View
8 Ethylhexanoate 0.064 View
9 Diethyl malonate -1.029 View
10 Diethylsebacate 1.353 View
11 Methyl-4-chloro benzoate 0.417 View
12 Diethyl phthalate 0.226 View
13 Dimethyl phthalate -0.442 View
14 Diethyl adipate -0.243 View
15 Di-n-butyl terephthalate NTAS View
16 Diphenyl phthtalate NTAS View
17 Dibutyl fumarate 1.466 View
18 Dibutyl adipate 0.791 View
19 Propyl formate -1.022 View
20 Butyl formate -0.934 View
21 1-naphthyl acetate 0.640 View
22 Methylphenyl acetate -0.402 View
23 Methyl propionate -1.616 View
24 Methyl octanoate 0.536 View
25 Methyl benzoate -0.234 View
26 Ethyl-2-methyl butyrate -0.889 View
27 Decyl acetate 1.887 View
28 Dibutyl phtalate 1.601 View
29 Diethyl suberate 0.703 View
30 Diethyl succinate -0.851 View
31 Ethyl propionate -0.945 View
32 Ethyl butyrate -0.490 View

Bibliography

  1. Jaworska, J. S.; Hunter, R. S.; Schultz, T. W. Quantitative Structure-Toxicity Relationships and Volume Fraction Analyses for Selected Esters. Arch. Environ. Contam. Toxicol. 1995, 29, 86–93. http://dx.doi.org/10.1007/BF00213091

  2. Schultz, T. W.; Lin, D. T.; Wilke, T. S.; Arnold, L. M. Quantitative structure-activity relationships for the Tetrahymena pyriformis population growth endpoint: a mechanism of action approach. In Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology; Karcher, W.; Devillers, J., Eds.; Joint Research Centre; 1990.