2-ethyl-2-[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate

Bioaccumulation: aquatic / sediment

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.