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Table 1 Summary of the acute toxicity data reported in the literature, toxicity predictions using the ACO-SVM model, predicted intrinsic solubility and experimental water solubility for 22 commercial dyes and pigments

From: Towards a reliable prediction of the aquatic toxicity of dyes

ID Dye/pigment CAS Experimental EC50 (mg L−1) Reference experimental toxicity Predicted EC50 (mg L−1) Similarity Predicted intrinsic solubility (mg L−1) Experimental water solubility (mg L−1) Reference experimental solubility
DD001 C.I. Pigment Yellow 1 2512-29-0 > 100 [14] 3.6 0.421 1 0.013 [14]
DD002 C.I. Pigment Red 5 6410-41-9 > 100 [14] 0.1 0.409 1 0.0078 [14]
DD003 FD&C Yellow 5 1934-21-0 > 125 [14] 16.1 0.378 310 167,050 [14]
DD004 C.I. Acid Blue 3 3536-49-0 42,900 [14] 0.3 0.390 31 20,980 [14]
DD005 FD&C Blue No. 1 3844-45-9 > 100 [14] 0.4 0.417 1 611,000 [14]
DD006 C.I. Acid Red 52 3520-42-1 > 120 [14] 0.1 0.400 1 95,300 [14]
DD007 C.I. Acid Yellow 3 disodium salt 8004-92-0 > 100 [14] 1.6 0.394 42 200,000–500,000 [14]
DD008 C.I. Acid Blue 80 4474-24-2 > 67 [14] 1.3 0.430 1 10,950 [14]
DD009 C.I. Pigment Blue 16 574-93-6 > 500 [14] 0.1 0.447 1 Not available  
DD010 C.I. Disperse Blue 291 56548-64-2 > 0.02 [15] 0.3 0.392 1   
DD011 C.I. Disperse Blue 373 51868-46-3 > 0.005 [15] 0.3 0.392 1 < 0.052 [14]
DD012 C.I. Disperse Blue 79 12239-34-8 4.5 [29] 0.4 0.419 1 Not available  
DD013 C.I. Disperse Blue 79:1 3618-72-2 4.5 [29] 0.6 0.412 1 < 2 [14]
DD014 C.I. Disperse Orange 1 2581-69-3 10 [30] 0.2 0.508 1 0.00955 [31]
DD015 C.I. Disperse Orange 29 19800-42-1 70 [29] 2.6 0.447 1 < 0.04 [14]
DD016 C.I. Disperse Orange 30 5261-31-4 0.03 [32] 0.6 0.433 1 < 0.04 [14]
DD017 C.I. Disperse Red 1 2872-52-8 0.18 [33] 11.6 0.424 0.16 Not available  
DD018 C.I. Disperse Red 13 3180-81-2 0.0187 [34] 7.8 0.422 0.1   
DD019 C.I. Disperse Red 17 3179-89-3 98 [29] 29.8 0.439 91   
DD020 C.I. Disperse Red 73 16889-10-4 110 [29] 1.1 0.479 1   
DD021 C.I. Disperse Violet 31 6408-72-6 177.9 [32] 0.1 0.455 0.001 0.0026 [14]
DD022 C.I. Disperse Violet 93 52697-38-8 > 0.02 [15] 0.3 0.407 0.001 0.020 [14]