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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2019
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 are not applicable to hydrocarbon UVCB substances, therefore in accordance with Annex XI Section 1.3 testing is not scientifically necessary and the endpoint has been fulfilled using QSAR calculations for relevant constituents. Full justifications for this QSAR are presented in 'Attached justification', but in brief these are justified because:
- the results are obtained from a QSAR model whose scientific validity has been established
- hydrocarbon 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

Data source

Reference
Reference Type:
other:
Title:
Epi BCFBAF v3.01
Author:
US EPA
Year:
2012
Bibliographic source:
Meylan,WM, Howard,PH, Boethling,RS et al. 1999.  Improved Method for Estimating Bioconcentration / Bioaccumulation Factor from Octanol/Water Partition Coefficient. Environ. Toxicol. Chem. 18(4): 664-672 (1999).

Materials and methods

Test guideline
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'

Test material

Constituent 1
Reference substance name:
C11-C16, n-alkanes, isoalkanes, <2% aromatics
IUPAC Name:
C11-C16, n-alkanes, isoalkanes, <2% aromatics
Constituent 2
Chemical structure
Reference substance name:
Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics
EC Number:
942-085-5
Cas Number:
1809170-78-2
Molecular formula:
C11H24 to C16H34
IUPAC Name:
Hydrocarbons, C11-C16, n-alkanes, isoalkanes, <2% aromatics

Results and discussion

Bioaccumulation factor
Temp.:
20 °C
pH:
7
Type:
BCF
Value:
>= 586 - <= 4 069 L/kg
Basis:
whole body w.w.
Calculation basis:
kinetic
Remarks on result:
other:
Remarks:
Multiple results Calculated BCF for constituents of this substance range between 586 and 4069 L/kg.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 property relationships 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). 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.

Applicant's summary and conclusion

Conclusions:
Multiple results Calculated BCF for constituents of this substance range between 586 and 4069 L/kg.
Executive summary:

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 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.