Registration Dossier

Diss Factsheets

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

Currently viewing:

Administrative data

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
supporting 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 justification for use of QSAR is attached.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: QSAR
Deviations:
not applicable
Principles of method if other than guideline:
Quantitative Structural-Activity Relationship based upon chemical structure devised from the SMILES code
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Benzenesulfonic acid, C10-60-alkyl derivs., barium salts
EC Number:
296-719-4
EC Name:
Benzenesulfonic acid, C10-60-alkyl derivs., barium salts
Cas Number:
93028-28-5
Molecular formula:
Cannot be assigned to this UVCB
IUPAC Name:
Benzenesulfonic acid, C10-60-alkyl derivs., barium salts

Results and discussion

Bioaccumulation factor
Key result
Type:
BCF
Value:
70.8

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Remarks:
QSAR estimation
Conclusions:
The bioconcentration factor is considered to be 70.8 L/kg based on calculation by the EPI modelling programme.
Executive summary:

Removal of mineral oil is not possible without degrading the chemical structureof the substance. It was therefore considered acceptable to create a weight of evidence approach based upon Quantitative Structural-Activity Relationship (QSAR). The QSAR model of choice was the EPI Suite v4.0 published by the United States Environmental Protection Agency, which has estimated the bioconcentration factor to be 70.8 L/kg.