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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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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 individual estimation program BCFBAF and/or its underlying predictive methods and equations have been described in numerous journal articles in peer-reviewed technical journals.
Qualifier:
no guideline followed
Principles of method if other than guideline:
The BCFBAF Program is an update and expansion of the previous BCFWIN Program that was part of the EPI Suite version 3.20. The BCFBAF program estimates BCF of an organic compound using the compound's log octanol-water partition coefficient (Kow). The original estimation methodology used by the original BCFWIN program is described in a document prepared for the U.S. Environmental Protection Agency (Meylan et al., 1997). The BCFBAF Program updates the BCF estimation methodology of the BCFWIN program by using an updated and better evaluated BCF database for selecting training and validation datasets.  The exact same regression methodology used to derive the original BCFWIN method was used to derive the BCFBAF method for estimating BCF.
GLP compliance:
not specified
Radiolabelling:
not specified
Details on sampling:
no data
Vehicle:
not specified
Details on preparation of test solutions, spiked fish food or sediment:
no data
Test organisms (species):
other: no data
Details on test organisms:
no data
Route of exposure:
other: no data
Test type:
not specified
Water / sediment media type:
not specified
Hardness:
no data
Test temperature:
no data
pH:
no data
Dissolved oxygen:
no data
TOC:
no data
Salinity:
no data
Details on test conditions:
no data
Nominal and measured concentrations:
no data
Reference substance (positive control):
not specified
Details on estimation of bioconcentration:
The BCFBAF method classifies a compound as either ionic or non-ionic. Ionic compounds include carboxylic acids, sulfonic acids and salts of sulfonic acids, and charged nitrogen compounds (nitrogen with a +5 valence such as quaternary ammonium compounds). All other compounds are classified as non-ionic.
Non-ionic compounds are predicted by the following relationships:
log BCF = 0.6598 log Kow - 0.333 + Sum F(i) (log Kow 1.0 to 7.0)
log BCF = -0.49 log Kow + 7.554 + Sum F(i) (log Kow > 7.0)
log BCF = 0.50 (log Kow < 1.0) (where Sum F(i) is the summation of structural correction factors)
Log Kow used by BCF estimates: 3.3 (experimental value).
Key result
Type:
BCF
Value:
41.91 L/kg
Basis:
other: wet weight
Calculation basis:
other: BCFBAF equation
Remarks on result:
other: Conc.in environment / dose:no data
Details on kinetic parameters:
not applicable
Validity criteria fulfilled:
not specified
Conclusions:
The BCFBAF program estimated an aquatic BCF of 41.91 L/kg wwt based on an experimentally derived logKow = 3.3.

Description of key information

The key value for bioaccumulation is derived via Log Kow-based estimate using the BCFBAF module of EpiSuite.

Key value for chemical safety assessment

BCF (aquatic species):
41.91 L/kg ww

Additional information

Due to the lack of data on bioaccumulation, the BCFBAF program was used to predict a BCF value of 41.91 L/kg wwt based on the substance's log Kow = 3.3.