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)]

IDNamepIGC50Details
1Methyl acetate-2.001View
2Ethyl acetate-1.297View
3Propyl acetate-1.238View
4Butylacetate-0.486View
5Hexyl acetate-0.008View
6Ethyl benzoate0.013View
7Methyl-2,5-dichloro benzoate0.811View
8Ethylhexanoate0.064View
9Diethyl malonate-1.029View
10Diethylsebacate1.353View
11Methyl-4-chloro benzoate0.417View
12Diethyl phthalate0.226View
13Dimethyl phthalate-0.442View
14Diethyl adipate-0.243View
15Di-n-butyl terephthalateNTASView
16Diphenyl phthtalateNTASView
17Dibutyl fumarate1.466View
18Dibutyl adipate0.791View
19Propyl formate-1.022View
20Butyl formate-0.934View
211-naphthyl acetate0.640View
22Methylphenyl acetate-0.402View
23Methyl propionate-1.616View
24Methyl octanoate0.536View
25Methyl benzoate-0.234View
26Ethyl-2-methyl butyrate-0.889View
27Decyl acetate1.887View
28Dibutyl phtalate1.601View
29Diethyl suberate0.703View
30Diethyl succinate-0.851View
31Ethyl propionate-0.945View
32Ethyl butyrate-0.490View

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.