Registration Dossier
Registration Dossier
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EC number: 242-016-2 | CAS number: 18127-01-0
Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
Description of key information
The acute toxicity of Bourgeonal to freshwater fish has been estimated using ECOSAR v1.11. The fish 96-hr LC50 was predicted to be 1.045 mg/L (mono aldehyde SAR) and 2.815 mg/L (neutral organic SAR). The lowest predicted value has been used for the derivation of PNEC.
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 1.045 mg/L
Additional information
The acute toxicity to fish of Bourgeonal 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. Bourgeonal was predicted to have a fish 96-hr LC50 of 1.045 mg/L and 2.815mg/L using respectively the ECOSAR v1.11 Mono Aldehyde and Neutral Organic SARs. Both QSAR models are scientifically valid and both predictions are considered reliable taking into account measured and predicted values for two close structural analogues:
3-(3-isopropylphenyl)butanal; measured LC50 = 1.08 mg/l; predicted LC50 = 1.092 mg/L (Mono Aldehydes SAR), 3.032 (Neutral Organics SAR)
3-4-(tert-butyl)phenyl-2 -methylpropanal; measured LC50 = 2.04 mg/L; predicted LC50 = 0.679mg/L (Mono Aldehydes SAR), 2.04 mg/l (Neutral Organics SAR).
The experimental values for the analogues and predicted values for the registration substance, Bourgeonal, fall within the same acute aquatic hazard classification criterion range of E(L)C50 > 1mg/L and <= 10mg/L. Therefore the predicted values for Bourgeonal are considered valid and reliable for the purposes of classification. The lowest predicted value of 1.045mg/L has been chosen as the key value for CSA.
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