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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 201-539-6 | CAS number: 84-54-8
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
BCFBAF model (v3.01) of Estimation Programs Interface (2018) prediction program was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 44.63 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Various predicted data of the test chemical were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done using theBCFBAF Program (v3.01) of Estimation Programs Interface (2018), the bioconcentration factor (BCF) of test chemical was estimated. The estimated bioconcentration factor (BCF) of test chemical was estimated to be 44.63 L/kg whole body w.w (at 25 deg C).
In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) over the entire pH scale (pH 0 - 14) of the test chemical was estimated to be 492 (log BCF = 2.7 ± 1.0).
Bioaccumulation test was conducted for estimating the bioconcentration factor (BCF) of test chemical (ChemSpider, 2017). The estimated bioconcentration factor (BCF) of test chemical was estimated to be 433.29 at pH 5.5 and 7.4, respectively.
Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2017) in which the bioconcentration factor (BCF) of test chemical was predicted. The estimated bioconcentration factor (BCF) of test chemical was estimated to be 467 (at 25 deg C).
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the bioaccumulation i.e BCF for test chemical was estimated to be 5.05 dimensionless . The predicted BCF result based on the 5 OECD principles.
On the basis of above results for test chemical(from modelling databases,2017), it can be concluded that the BCF value of test chemicalranges from 5.05 – 492 which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
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.
