Registration Dossier

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
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: The study result is based on a well documented QSAR with the test compound fitting well within the applicability domain of the QSAR and the QSAR is used for a well defined endpoint.
Justification for type of information:
QSAR prediction
Qualifier:
according to guideline
Guideline:
other: Meylan, W.M., Howard, P.H., Boethling, R.S. et. al.; Improved method for estimating bioconcentration bioaccumulation factor from octanol/water partition coefficient. Environ. Toxicol. Chem. 18(4): 664 - 672, 1999
Deviations:
not applicable
Principles of method if other than guideline:
The bioconcentration factor is based on an estimation method, where compounds are classified as ionic or non-ionic. Subsequently for non)-ionic substances a division is made, based on the log Kow. For substances with a log Kow >1; 1 -7 and >7 different regression models were developed with additional correction factors based on the structure of the compound.
GLP compliance:
no
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
not applicable
Radiolabelling:
no
Details on sampling:
not applicable
Vehicle:
no
Details on preparation of test solutions, spiked fish food or sediment:
not applicable
Details on test organisms:
not applicable
Test type:
other: QSAR
Water / sediment media type:
natural water: freshwater
Hardness:
not applicable
Test temperature:
the QSAR is valid for ambient temperatures
pH:
not applicable
Dissolved oxygen:
not applicable
TOC:
not applicable
Salinity:
not applicable
Details on test conditions:
not applicable
Nominal and measured concentrations:
not applicable
Reference substance (positive control):
not required
Details on estimation of bioconcentration:
The approach was described in: Meylan, W.M., Howard, P.H., Boethling, R.S. et. al.; Improved method for estimating bioconcentration bioaccumulation factor from octanol/water partition coefficient. Environ. Toxicol. Chem. 18(4): 664 - 672, 1999
Type:
BCF
Value:
41.6 L/kg
Basis:
other: wet weight
Remarks on result:
other: QSAR
Details on kinetic parameters:
not applicable
Metabolites:
not applicable
Results with reference substance (positive control):
not applicable
Details on results:
not applicable
Reported statistics:
not applicable

log BCF of TMP was estimated to be 1.62 (BCF = 41.61 L/kg wet wt)

Validity criteria fulfilled:
yes
Conclusions:
The Log BCF of TMP PE was estimated to be 1.62 (BCF = 41.61 L/kg wet wt)
Executive summary:

Log BCF of TMP PE was estimated using a QSAR and equalled 1.62. The QSAR is well documented, with a clear regression model and used for a well defined endpoint. TMP PE falls well within the applicability domain of the QSAR.

Description of key information

Log BCF of TMP pelargonate was estimated using a QSAR and equalled 1.62. 

Key value for chemical safety assessment

BCF (aquatic species):
41.61 L/kg ww

Additional information

The Log BCF of TMP pelargonate was estimated using a QSAR and equalled 1.62 (41.61 L/kg wet weight). The QSAR is well documented, with a clear regression model and used for a well defined endpoint. TMP pelargonate falls well within the applicability domain of the QSAR.