Registration Dossier

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
From DEC 2012 to Jan 2013
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report Date:
2013

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARS R.6, May 2008
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Bioaccumulation factoropen allclose all
Type:
BCF
Value:
53 L/kg
Basis:
whole body w.w.
Calculation basis:
other: SMILES-Code
Remarks on result:
other: Key: CAESAR QSAR model for BCF in fish v. 2.1.11
Remarks:
Conc.in environment / dose:OTHER: QSAR
Type:
BCF
Value:
29 L/kg
Basis:
whole body w.w.
Calculation basis:
other: SMILES-Code
Remarks on result:
other: Supporting: VEGA Model “BCF Read –Across” (v. 1.0.0)
Remarks:
Conc.in environment / dose:OTHER: QSAR
Type:
BCF
Value:
10 L/kg
Basis:
whole body w.w.
Calculation basis:
other: SMILES-Code and log Kow
Remarks on result:
other: Supporting: BCFBAF model v. 3.01 as part of US EPA´s EPI SuiteTM v. 4.1 (EPA, 2011)
Remarks:
Conc.in environment / dose:OTHER: QSAR
Type:
BCF
Value:
169.6 L/kg
Basis:
whole body w.w.
Calculation basis:
other: log Kow; 10.7% lipid content (upper trophic level organisms); default parameters
Remarks on result:
other: Supporting: Arnot & Gobas (2003) model on bioconcentration
Remarks:
Conc.in environment / dose:OTHER: QSAR
Type:
BCF
Value:
80 L/kg
Basis:
whole body w.w.
Calculation basis:
other: log Kow, 5% lipid content (most experimental fish species); default parameters
Remarks on result:
other: Supporting: Arnot & Gobas (2003) model on bioconcentration
Remarks:
Conc.in environment / dose:OTHER: QSAR

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Remarks:
According to the OECD PRINCIPLES FOR THE VALIDATION, FOR REGULATORY PURPOSES, OF (QUANTITATIVE) STRUCTURE-ACTIVITY RELATIONSHIP MODELS, OECD 2004