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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 222-389-8 | CAS number: 3457-61-2
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- The bioconcentration factor (BCF) of the test substance was evaluated with BCFBAF model v3.01 from EPI Suite v4.1, which fulfilled all OECD principles. Test substance is within the domain of the BCFBAF model based on the molecular weight and fragments present in the BCFBAF database.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- QSAR calculation
- GLP compliance:
- no
- Radiolabelling:
- no
- Vehicle:
- no
- Test type:
- other: QSAR
- Type:
- BCF
- Value:
- 372 L/kg
- Basis:
- whole body w.w.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The BCF of the test substance was 372 L/Kg whole body weight, corresponding to a log BCF = 2.57
- Executive summary:
The bioconcentration factor (BCF) of the test substance was evaluated with BCFBAF model v3.01 from EPI Suite v4.1, which fulfilled all OECD principles. Test substance is within the domain of the BCFBAF model based on the molecular weight and fragments present in the BCFBAF database.
The BCF of the test substance was 372 L/Kg whole body weight, corresponding to a log BCF = 2.57
Reference
Log Kow (estimated) : 4.66
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 4.40 (user entered)
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
No Applicable Correction Factors
Estimated Log BCF = 2.570 (BCF = 372 L/kg wet-wt)
Description of key information
The BCF of the test substance was estimated by QSAR as 372 L/Kg whole body weight, corresponding to a log BCF = 2.57
Key value for chemical safety assessment
- BCF (aquatic species):
- 372 L/kg ww
Additional information
As no refinement is necessary for B-assessment (Log Kow value < 4.5) or for chemical safety assessment, the aquatic bioaccumulation was estimated by calculation.
The following result was obtained: the BCF of the test substance was 372 L/Kg whole body weight, corresponding to a log BCF = 2.57
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.
