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Diss Factsheets

Administrative data

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The data was generated from reliable QSAR model
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: software
Title:
POPs(v2 58.5)
Author:
S.D Dimitrov, O. G. Mekenyan, N.C. Dimitrova
Year:
2002
Bibliographic source:
http://oasis-Imc.org/

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARs R.6, May/2008
Principles of method if other than guideline:
POPs BCF_sizecorrected Model for BCF
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
425-220-8
EC Name:
-
Cas Number:
5945-33-5
Molecular formula:
C39H34O8P2
IUPAC Name:
(1-methylethylidene)di-4,1-phenylenetetraphenyl diphosphate
Details on test material:
SMILES: O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccc(cc3)C(C)(C)c6ccc(OP(=O)(Oc4ccccc4)Oc5ccccc5)cc6
log kow of 10.02 was used for prediction.

Results and discussion

Bioaccumulation factor
Type:
BCF
Value:
<= 1.12

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Remarks:
Data was deprived from a reliable QSAR model
Conclusions:
The BCF of substance BDP was predicted to be lower than 1.12. the result is acceptable. And the prediction should be used for classification and risk assessment.