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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Ecotoxicological information

Endpoint summary

Administrative data

Description of key information

Additional information

One experimental study of reliability 1 (based on international guidelines and GLP compliance) and two QSAR (iSafeRat® Holistic HA-QSAR v1.4) results are available to assess the aquatic toxicity of the registered substance, on aquatic invertebrates and algae.

The experimental short-term toxicity study on the aquatic invertebrate, Daphnia magna, was performed on the registered substance. In this study the 48h-EC50 value, based on analytically confirmed nominal concentrations, was determined to be 12.9 mg/L (95%-Confidence Limit: 11.7 - 14.2 mg/L). This experimental study was supported by a QSAR result on aquatic invertebrates performed on the registered substance also.

The QSAR (iSafeRat® Holistic HA-QSAR v1.4) used a calculation method to predict the toxicity of the registered substance, a multiconstituent mixture of known composition, to aquatic invertebrates and algae. This calculation method predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following OECD guidelines adapted for testing as a mixture using the WAF method. This method has previously been validated in an internal publication (Bicheral and Thomas, 2014; available in the Endpoint Study Records). This algorithm is based on a QSAR model which has been validated to be compliant with the OECD recommendations for QSAR modelling (OECD, 2004). This QSAR is based on validated data for training sets derived from experimental studies for which the concentrations of the test item had been determined by chemical analyses over the test period. Based on the chemical structure of ketone and alcohols, the constituents of the registered substance are expected to fall on the MOA 1 regression line and they can be attributed to the class of non-polar narcotic compounds (MOA 1). Further to this, the effects loading rate (48h-EL50 and 72h-ErL50 values, for aquatic invertebrates and algae, respectively) are determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the non-bioavailable fraction.

The 48h-EL50 value based on mobility of aquatic invertebrates was determined to be 8.2 mg/L. Based on this data, the QSAR result obtained on the aquatic invertebrates supports the experimental study and can be considered slightly conservative compared to the in vivo result but strongly supports the validity of the QSAR and its usefulness as a predictor of ecotoxicity for this substance. For the algae endpoint, the same calculation method was used (iSafeRat Holistic HA-QSAR v1.4). Thus the prediction method can be considered sufficient to assess the toxicity of the registered substance to algae. The 72h-ErL50 based on growth rate of algae was determined to be 17 mg/L. An in vivo algae study is therefore not considered necessary.