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EC number: 203-161-7
CAS number: 103-95-7
The acute toxicity of Cyclamen Aldehyde to freshwater fish has been estimated using ECOSAR v2.0. The fish 96-hr LC50 was predicted to be 2.49 mg/L (mono aldehyde SAR). The predicted value can be considered valid and reliable taking into consideration information on two close structural analogues. Moreover, the experimental values for the analogues and predicted values for all 3 substances fall within the same acute aquatic hazard classification criterion range: E(L)C50 > 1mg/L and <= 10mg/L.
The acute toxicity to fish of Cyclamen Aldehyde has been assessed using a QSAR approach. The QSAR approach works within the spirit of REACH and the stated aim of the legislation to reduce animal testing where possible. Cyclamen aldehyde was predicted to have a fish 96-hr LC50 of 2.49 mg/L using the ECOSAR v2.0 Aldehydes (Mono) SAR.
The QSAR model is scientifically valid and the prediction is considered reliable taking into account measured and predicted values for two close structural analogues:
Analogue 1 - (3-(3-ISOPROPYLPHENYL)BUTANAL) : Experimental 96 hr LC50 = 4.60 mg/L; ECOSAR (v2.0) predicted 96 hr LC50 = 3.46 mg/L
Analogue 2 - 3-(4-isobutyl-2-methylphenyl)propanal : Experimental 96 hr LC50 = 1.09 mg/L; ECOSAR (v2.0) predicted 96 hr LC50 = 1.92 mg/L.
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