Registration Dossier

Administrative data

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2019-06-18
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
caluculation based on well accepted scientific model (OASIS Catalogic 5.12.1 , BCF base-line model v. 02.07)

Data source

Reference
Title:
Unnamed
Year:
2019
Report Date:
2019

Materials and methods

Test guideline
Guideline:
other: QSAR modeling
Version / remarks:
Catalogic 5.12.1

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: solid, waxy, white to yellowish

Test conditions

Details on estimation of bioconcentration:
QSAR calculation witjh scienticical accepted methods (QSAR tool -Catalogic 5.12.1)

Results and discussion

Bioaccumulation factoropen allclose all
Key result
Type:
BCF
Value:
7.76 L/kg
Basis:
whole body w.w.
Remarks on result:
not measured/tested
Remarks:
QSAR calculation substructure 1
Key result
Type:
BCF
Value:
7.76 L/kg
Basis:
whole body w.w.
Remarks on result:
not measured/tested
Remarks:
QSAR calculation substructure 2
Key result
Type:
BCF
Value:
7.76 L/kg
Basis:
whole body w.w.
Remarks on result:
not measured/tested
Remarks:
QSAR calculation substructure 3

Applicant's summary and conclusion

Executive summary:

The test item Fatty acids, tall-oil- reaction products with diethylenetriamine (EFKA K 122) is an UVCB substance consisting of substructures with different alkyl chains. Each substructure has its own bioaccumulation potential in the environment. Therefore, each substructure was modelled for its bioaccumulation potential by using the QSAR tool Catalogic 5.12.1, BCF base-line model v. 02.09, from the OECD toolbox. Substructures were modelled based on smiles code of the substructures given in Chap. 1.1 identification.

The log BCF determined for the individual substructures were 0.89 corresponding to  a BCF value of 7.76 L/kg. According to the modelled log BCF, respectively the BCF values, there is no indication that the test item with its substructures has a significant tendency to accumulate in organisms.