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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation. This estimate provided in conjunction with the (Q)SAR estimate from the Arnot-Gobas model (BCFBAF v3.0) provide a weight of evidence for the hazard endpoint that is sufficient for the purpose of classification and labelling and/or risk assessment.
Justification for type of information:
QSAR prediction
Qualifier:
according to guideline
Guideline:
other: Data generated using BCFBAFv3.00 (BCF model and measured log Kow of 3.88) (see supporting QPRF/QMRF documentation)
Deviations:
yes
Remarks:
Measured log Kow of 3.88 was used in calculation.
GLP compliance:
no
Test type:
other: QSAR
Type:
BCF
Value:
168.7
Basis:
other: L/kg wet-wt.
Remarks on result:
other: Log BCF = 2.227 L/kg wet-wt.

Supporting documentation is provided in the attached QMRF and QPRF.

Validity criteria fulfilled:
yes
Conclusions:
BCF = 168.7 L/kg wet-wt
Executive summary:

Data was generated using BCFBAFv3.00 (BCF model and measured log Kow of 3.88). The predicted BCF was 186.7 L/kg wet-wt.

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation. This estimate provided in conjunction with the (Q)SAR estimate from the BCF model (BCFBAF v3.0) provide a weight of evidence for the hazard endpoint that is sufficient for the purpose of classification and labelling and/or risk assessment.
Justification for type of information:
QSAR prediction
Qualifier:
according to guideline
Guideline:
other: Data generated using BCFBAFv3.00 (Arnot-Gobas BCF & BAF model and measured log Kow of 3.88) (see supporting QPRF/QMRF documentation)
Deviations:
yes
Remarks:
Measured log Kow of 3.88 was used in calculation.
GLP compliance:
no
Test type:
other: QSAR
Type:
other: BCF (upper trophic)
Value:
78.81
Basis:
other: L/kg wet-wt.
Remarks on result:
other: Log BCF (upper trophic) = 1.897
Type:
other: BAF (upper trophic)
Value:
78.81
Basis:
other: L/kg wet-wt
Remarks on result:
other: Log BAF (upper trophic) = 1.897
Type:
other: BCF (mid trophic)
Value:
97.39
Basis:
other: L/kg wet-wt
Remarks on result:
other: Log BCF (mid trophic) = 1.989
Type:
other: BAF (mid trophic)
Value:
97.5
Basis:
other: L/kg wet-wt
Remarks on result:
other: Log BAF (mid trophic) = 1.989
Type:
other: BCF (lower trophic)
Value:
102.3
Basis:
other: L/kg wet-wt
Remarks on result:
other: Log BCF (lower trophic) = 2.010
Type:
other: BAF (lower trophic)
Value:
103.4
Basis:
other: L/kg wet-wt
Remarks on result:
other: Log BAF (lower trophic) = 2.014
Type:
other: Biotransformation half-life
Value:
0.205
Basis:
other: days
Remarks on result:
other: normalized to 10 g fish; Log Bio half-life (days) = -0.6884

Supporting documentation is provided in the attached QMRF and QPRF.

Validity criteria fulfilled:
yes
Conclusions:
BCF = 102.3 L/kg wet-wt
BAF = 103.4 L/kg wet-wt
Executive summary:

Data was generated using BCFBAFv3.00 (Arnot-Gobas BCF & BAF model and measured log Kow of 3.88). The predicted BCF was 102.3 L/kg wet-wt (maximum) and the BAF was predicted to be 103.4 L/kg wet-wt.

Description of key information

Key value for chemical safety assessment

Additional information

The log Kow of the substance is 3.88 and therefore triggers an assessment of potential for bioaccumulation in aquatic organisms. Using the experimentally determined log Kow, the BCF/BAF models contained in EPISuite v4.0 predicted BCFs of 102.3 L/kg wet-wt (maximum, Arnot-Gobas model) and 168.7 L/kg wet-wt (BCF model). The maximum BAF was predicted to be 103.4 L/kg wet-wt (Arnot-Gobas model). Taken together, these estimates suggest that the substance is not bioaccumulative in aquatic organisms.  

To further evaluate potential aquatic bioaccumulation, hepatic metabolism of the substance was examined by measuring the clearance rate for the substance in freshly isolated rainbow trout hepatocytes (see CSR Section 5.1.1 Toxicokinetics - Non-human information). The results indicate that the substance is rapidly metabolized in trout hepatocytes and are consistent with predicted weight-normalized biotransformation half-life in fish of 0.2 days (Arnot-Gobas model). The weight of evidence, including rapid in vivo metabolism, and low predicted BCF, BAF and biotransformation half-life values, supports the conclusion that the substance exhibits a low potential for bioaccumulation in aquatic organisms.