Table 2 Composition and toxicity data of mixture components in SDS, and EC50 of mixture predicted by the simple CA model for Case Study 2.

From: MRA Toolbox v. 1.0: a web-based toolbox for predicting mixture toxicity of chemical substances in chemical products

Substance

CAS RN

MW (g/mol)

Composition range (%)

EC50 (mg/L-48 h, D. magna)

Toluene

108-88-3

92.140

70–75

11.500

n-Butanol

71-36-3

74.120

1–5

1983

2-Butoxyethanol

111-76-2

118.170

1–5

1000

Ethyl alcohol

64-17-5

46.070

1–5

9268

Mixture

–

–

73–90

15.314

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