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Bioaccumulation: aquatic / sediment

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Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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
Justification for type of information:
Standard Bioaccumulation studies for this endpoint are intended for monoconstituent substances and are not appropriate for petroleum UVCB substances. In accordance with Annex XI Section 1.3 the endpoint has been fulfilled using QSAR calculations for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see the representative structures from the PETRORISK Product Library in the spreadsheet attached in IUCLID section 13.2). As such, testing is not scientifically necessary.

Full justifications for these QSAR are presented in 'Attached justification' within the associated endpoint records, but in brief these are justified because:
-the results are obtained from a QSAR model whose scientific validity has been established
-petroleum substances fall within the applicability domain of the QSAR model
-results are adequate for the purposes of risk assessment
-adequate and reliable documentation is provided
Qualifier:
no guideline required
Principles of method if other than guideline:
- Software tool(s) used including version: EPISuite v4.10
- Model(s) used: BCFBAF v3.01
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
Lipid content:
5 %
Key result
Temp.:
20 °C
pH:
7
Type:
BCF
Value:
>= 281.4 - <= 889.85 L/kg
Basis:
whole body w.w.
Remarks:
5% lipid normalized
Calculation basis:
kinetic
Remarks on result:
other: See Remarks
Remarks:
Multiple results Calculated BCF for constituents of this substance have been reported as a range. It should be borne in mind that this is the full range of predicted values, and that this may be misleading or unrepresentative of the properties of the UVCB substance as a whole. The range sho uld therefore be treated with caution and not taken out of context. The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure p roperty relationships for representative hydrocarbon structures that comprise the hydrocarbon block s used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached in IUCLID section 13). For purposes of PBT assessm ent, the substance has been assessed using a combination of QSAR predictions and confirmat ory experimental testing for representative constituents using a hydrocarbon block approach. For details see report titled 'Evaluation of PBT for Petroleum Substances' in IUCLID section 13.
Conclusions:
Bioconcentration Factors (BCF) have been estimated using the USEPA BCFBAF Arnot Gobas model for the representative constituents of this substance identified in the PETRORISK Prodcut Library. The estimated BCFs for this substance range from 281.40 - 889.85 L/kg.
Executive summary:

Standard Bioaccumulation studies for this endpoint are intended for monoconstituent substances and are not appropriate for petroleum UVCB substances. In accordance with Annex XI Section 1.3 the endpoint has been fulfilled using QSAR calculations for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached in IUCLID section 13.2). As such, testing is not scientifically necessary.

 

Full justifications for these QSAR are presented in 'Attached justification' within the associated endpoint records, but in brief these are justified because:

-the results are obtained from a QSAR model whose scientific validity has been established

-petroleum substances fall within the applicability domain of the QSAR model

-results are adequate for the purposes of risk assessment

-adequate and reliable documentation is provided

 

The estimated Bioconcentration Factors for this substance ranges from 281.40 - 889.85 L/kg.

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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
Justification for type of information:
Standard Bioaccumulation studies for this endpoint are intended for monoconstituent substances and are not appropriate for petroleum UVCB substances. In accordance with Annex XI Section 1.3 the endpoint has been fulfilled using QSAR calculations for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see the representative structures from the PETRORISK Product Library in the spreadsheet attached in IUCLID section 13.2). As such, testing is not scientifically necessary.

Full justifications for these QSAR are presented in 'Attached justification' within the associated endpoint records, but in brief these are justified because:
-the results are obtained from a QSAR model whose scientific validity has been established
-petroleum substances fall within the applicability domain of the QSAR model
-results are adequate for the purposes of risk assessment
-adequate and reliable documentation is provided
Qualifier:
no guideline required
Principles of method if other than guideline:
- Software tool(s) used including version: EPISuite v4.10
- Model(s) used: BCFBAF v3.01
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
Key result
Temp.:
20 °C
pH:
7
Type:
BCF
Value:
>= 120.23 - <= 537.03 L/kg
Basis:
whole body w.w.
Calculation basis:
kinetic
Remarks on result:
other: See Remarks
Remarks:
Multiple results Calculated BCFs for constituents of this substance have been reported as a range. It should be borne in mind that this is the full range of predicted values, and that this may be misleading or unrepresentative of the properties of the UVCB substance as a whole. The range should therefore be treated with caution and not taken out of context. The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydroc arbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached in IUCLID section 13). For purposes of PBT assessment, the substance has been assessed using a combination of QSAR predictions and confirmatory experimental testing for representative constituents using a hydrocarbon block approach. For details see report titled 'Evaluation of PBT for Petroleum Substances' in IUCLID section 13.
Conclusions:
Bioconcentration Factors (BCF) have been estimated using the USEPA BCFBAF log Kow regression model for the representative constituents of this substance identified in the PETRORISK Prodcut Library. The estimated BCFs for this substance range from 120.23 - 537.03 L/kg.
Executive summary:

Standard Bioaccumulation studies for this endpoint are intended for monoconstituent substances and are not appropriate for petroleum UVCB substances. In accordance with Annex XI Section 1.3 the endpoint has been fulfilled using QSAR calculations for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached in IUCLID section 13.2). As such, testing is not scientifically necessary.

 

Full justifications for these QSAR are presented in 'Attached justification' within the associated endpoint records, but in brief these are justified because:

-the results are obtained from a QSAR model whose scientific validity has been established

-petroleum substances fall within the applicability domain of the QSAR model

-results are adequate for the purposes of risk assessment

-adequate and reliable documentation is provided

 

The estimated Bioconcentration Factors for this substance ranges from 120.23 - 537.03 L/kg.

Description of key information

Standard Bioaccumulation studies for this endpoint are intended for monoconstituent substances and are not appropriate for petroleum UVCB substances. In accordance with Annex XI Section 1.3 the endpoint has been fulfilled using QSAR calculations for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see the representative structures from the PETRORISK Product Library in the spreadsheet attached in IUCLID section 13.2). As such, testing is not scientifically necessary.

Full justifications for these QSAR are presented in 'Attached justification' within the associated endpoint records, but in brief these are justified because:

-the results are obtained from a QSAR model whose scientific validity has been established

-petroleum substances fall within the applicability domain of the QSAR model

-results are adequate for the purposes of risk assessment

-adequate and reliable documentation is provided

Key value for chemical safety assessment

Additional information

For the purpose of PBT assessment (Annex XIII), a combination of QSAR models and experimental data for both screening and assessment level information are utilized, in accordance with REACh Annex XI and ECHA Guidance on integrated testing and evaluation strategies (R.11). As a result, single values or ranges of values reported for individual endpoints within the substance registration should be considered within this weight of evidence context and not applied individually for the purpose of PBT assessments. A complete, integrated PBT assessment for the range of relevant constituents within petroleum hydrocarbon UVCB substances is attached to this dossier (section 13.2).