Registration Dossier

Administrative data

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

Data source

Reference
Reference Type:
other: modelling software
Title:
Unnamed
Year:
2009

Materials and methods

Principles of method if other than guideline:
BCF Model results.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Bioaccumulation factor
Type:
BCF
Value:
ca. 3.1 L/kg
Basis:
other: modelled data
Calculation basis:
steady state
Remarks on result:
not measured/tested

Any other information on results incl. tables

BCFBAF Program (v3.00) Results:

==============================

SMILES : CCCCCCCCCc1ccc(cc1)OP(Oc2cccc(c2)CCCCCCCCC)Oc3ccc(cc3)CCCCCCCCC

CHEM : Phenol, nonyl-, phosphite (3:1)

MOL FOR: C45 H69 O3 P1

MOL WT : 689.02

--------------------------------- BCFBAF v3.00 --------------------------------

Summary Results: Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)

Biotransformation Half-Life (days) : 4.39e+005 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): -0.05 (BAF = 0.893 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow

used by BCF estimates: 20.05

Equation Used to Make BCF estimate: Log BCF = -0.49 log Kow + 7.554 + Correction

Correction(s): Value No Applicable Correction Factors Minimum Log BCF of 0.50 applied when Log Kow > 7

Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
BCF = 3.162 L/kg wet-wt calculated using BCFBAF v3.0 program.
Executive summary:

A BCF of 3.162 L/kg wet weight was calculated using the BCFBAF v3.0 program. This model used a log Kow of 20.05

in the following equation: Log BCF = -0.49 log Kow + 7.554 + Correction (none used).

This result is likely to overpredict the bioaccumulation potential of TNPP given the size and molecular weight of TNPP and also due to the fact that it is not clear that the model is valid at such a high Kow value. Regardless, the value is well below the PBT criterion on 2000 L/kg.