Registration Dossier
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EC number: 263-160-2 | CAS number: 61790-69-0
Bioaccumulation: aquatic / sediment
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:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Guideline:
- other: QSAR modeling
- Version / remarks:
- Catalogic 5.12.1
Test material
- Reference substance name:
- Fatty acids, tall-oil, reaction products with diethylenetriamine
- EC Number:
- 263-160-2
- EC Name:
- Fatty acids, tall-oil, reaction products with diethylenetriamine
- Cas Number:
- 61790-69-0
- Molecular formula:
- not applicable (UVCB substance)
- IUPAC Name:
- Fatty acids, tall-oil, reaction products with diethylenetriamine
- Test material form:
- other: solid, waxy, white to yellowish
Constituent 1
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.
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