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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Bioaccumulation: aquatic / sediment:

An in silico study has been performed to evaluate the BIOCONCENTRATION FACTOR (LOG BCF) of the test item using several Quantitative Structure-Property Relationship (QSPR) models. These models have been checked to be compliant with the OECD recommendations for QSAR modeling. They all predict the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the Guideline for Testing of Chemicals No. 305, "Bioaccumulation in Fish: Aqueous and Dietary Exposure". The criterion predicted was the bioconcentration factor (BCF) in L/kg expressed in his logarithm.

 

The BIOCONCENTRATION FACTOR (LOG BCF) values were determined using the following QSPR models:

•       iSafeRat® fishBCF v1.0;

•       BCFBAF model (BCF) v3.01 from EPI Suite v4.11 software;

•       BCF model from OPERA v2.6 software;

•       BCF model (Hierarchical Clustering) from TEST v5.1.1 software;

•       BCF model (Single Model) from TEST v5.1.1 software;

•       BCF model (Group Contribution) from TEST v5.1.1 software;

•       BCF model (Nearest Neighbor) from TEST v5.1.1 software;

•       BCF model (CAESAR) v2.1.14 from VEGA v1.1.5 software;

•       BCF model (kNN/Read-Across) v1.1.0 from VEGA v1.1.5 software;

•       BCF model (Meylan) v1.0.3 from VEGA v1.1.5 software.

The BIOCONCENTRATION FACTOR (LOG BCF) value of the test item were determined as: 3.0

The mean BCF was determined as 1000 with a min of 158 and a max of 2138. Only one model out of the 9 within the applicability domain predicted a BCF >2000. Using the consensus approach, the substance is considered to have a BCF of 1000 and to be below the B criterion used in PBT assessment of 2000 L/Kg.

Additional information