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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
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:
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 fulfilled using quantitative structure property relationships for representative hydrocarbon structures. The BCFBAF 3.01 model is a well characterised and generally accepted bioaccumulation prediction model, used by the USEPA, the OECD and recommended by ECHA. The SMILES input data for the BCFBAF 3.01 model is obtained from the PETRORISK Product Library (see OECD QSAR Toolbox report in 'Attached full study report' and PETRORISK report attached in IUCLID section 13).
Qualifier:
no guideline required
Principles of method if other than guideline:
Software tool(s) used including version: OECD QSAR Toolbox Version 4.4.1
Model(s) used: BCFBAF v3.01 – Arnot-Gobas model which was corrected to 5% lipid content in fish.
The SMILES input data for the BFBAF3.01 model is obtained from the PETRORISK Product Library (see OECD QSAR Toolbox report in ‘Attached full study report’ and PETRORISK report attached in IUCLID section 13).
GLP compliance:
no
Remarks:
(Q)SAR
Key result
Type:
BCF
Value:
>= 21.36 - <= 6 299.66 L/kg
Remarks on result:
other: Adjusted to a 5% lipid content in fish
Validity criteria fulfilled:
not applicable
Conclusions:
The calculated BCF of this substance ranges from 21.35 - 6299.66 L/kg.
Executive summary:

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 fulfilled using quantitative structure property relationships for representative hydrocarbon structures. The BCFBAF 3.01 model is a well characterised and generally accepted bioaccumulation prediction model, used by the USEPA, the OECD and recommended by ECHA. The SMILES input data for the BCFBAF 3.01 model is obtained from the PETRORISK Product Library (see OECD QSAR Toolbox report in 'Attached full study report' and PETRORISK report attached in IUCLID section 13).

The calculated BCF of this substance ranges from 21.35 - 6299.66 L/kg.

Description of key information

Hydrocarbons, C14 -C17, n-alkanes, <2% aromatics are hydrocarbon UVCBs. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is fulfilled using quantitative structure property relationships for representative hydrocarbon structures. The BCFBAF 3.01 model is a well characterised and generally accepted bioaccumulation prediction model, used by the USEPA, the OECD and recommended by ECHA. The SMILES input data for the BCFBAF 3.01 model is obtained from the PETRORISK Product Library (see OECD QSAR Toolbox report in 'Attached full study report' and PETRORISK report attached in IUCLID section 13).

The calculated BCF of Hydrocarbons, C14 -C17, n-alkanes, <2% aromatics ranges from 21.35 - 6299.66 L/kg.

The calculated BCF of icosane is 22 L/kg cacluated using the BCFWIN v2.16 model within EPISuite 3.12. This value indicates that icosane is not considered a bioaccumulative substance.

Key value for chemical safety assessment

BCF (aquatic species):
22 L/kg ww

Additional information

C14-20 Aliphatics (≤2% aromatic) are hydrocarbon UVCBs. Standard tests for this endpoint are intended for single substances and are not appropriate for these complex substances. However, this endpoint has been calculated for representative hydrocarbon structures using the BCFWIN v2.16 model within EPISuite 3.12 as input to the hydrocarbon block method incorporated into the PETRORISK model. The predicted BCFs for hydrocarbons are generally overly conservative since biotransformation is not quantitatively taken into account. Therefore, indirect exposure and resulting risk estimates predicted by PETRORISK are likely to be overestimated. For the purposes of PBT assessment, measured bioaccumulation data for representative hydrocarbon constituents have been used as detailed in section 8 of the CSR.

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