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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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.