Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 309-066-8 | CAS number: 99811-75-3
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
Description of key information
Calculation method, iSafeRat® Holistic HA-QSAR v1.5, key study, validity 2:
72h-ErL50 = 11 mg/L
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 11 mg/L
Additional information
To assess the toxicity of the registered substance to aquatic algae, one data endpoint is available.
This data (KREATiS, 2016), assessed as a key datapoint, is a QSAR. This QSAR used a calculation method to predict the inhibition of growth to algae of the registered substance, an UVCB substance with three major constituents (72h-ErL50 value), which would be expected when testing the substance under experimental conditions in a laboratory following OECD Guideline 201 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 Record). This algorithm is based on a QSAR model (iSafeRat® Holistic HA-QSAR v1.5) which has been validated to be compliant with the OECD recommendations for QSAR modelling (OECD, 2004). The QSAR is based on validated data for a training set of 40 chemicals derived from 72h ErC50 test on algae, for which the concentrations of the test item had been determined by chemical analyses over the test period. Based on the chemical structure of ketones, the three major constituents of the test substance are expected to fall on the MOA 1 regression line and they can attributed to the class of non-polar narcotic compounds (MOA 1). Further to this, the effect loading rate of the mixture is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the non-bioavailable fraction. The 72h-ErL50 value based on growth rate was determined to be 11 mg/L.
In conclusion, as the same QSAR model was validated for the "short-term toxicity to aquatic invertebrates" endpoint with an experimental study and the results from this prediction was observed to be conservative compared to those obtained from the experimental study, this result can be used with high reliability for the algae endpoint.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
