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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
according to guideline
Guideline:
other: Modelling database
Principles of method if other than guideline:
Prediction done using Bioconcentration factor (v12.1.0.50374).This particular module provides bioconcentration factor (BCF) values over the entire pH scale. Calculations are performed for both neutral and ionic species present at a given pH and utilize predicted values for LogP as well as pKa. The BCF and Koc values characterize the tendency for a compound to accumulate in aquatic organisms and soil respectively, putting these two values among the most important ones in the assessment of environmental fate of chemicals.
GLP compliance:
not specified
Radiolabelling:
not specified
Vehicle:
not specified
Test organisms (species):
other: aquatic organisms
Route of exposure:
aqueous
Test type:
not specified
Water / sediment media type:
natural water: freshwater
Reference substance (positive control):
not specified
Type:
BCF
Value:
5 973 dimensionless
Basis:
whole body w.w.
Calculation basis:
other: no data
Remarks on result:
other: BCF reported at pH range 1-10
pH:
11
Type:
BCF
Value:
5 972 dimensionless
Basis:
whole body w.w.
Remarks on result:
other: log(BCF) = 3.8 ± 1.0
pH:
12
Type:
BCF
Value:
5 970 dimensionless
Basis:
whole body w.w.
Remarks on result:
other: log(BCF) = 3.8 ± 1.0
pH:
13
Type:
BCF
Value:
5 942 dimensionless
Basis:
whole body w.w.
Remarks on result:
other: log(BCF) = 3.8 ± 1.0
pH:
14
Type:
BCF
Value:
5 680 dimensionless
Basis:
whole body w.w.
Remarks on result:
other: log(BCF) = 3.8 ± 1.0
Validity criteria fulfilled:
not specified
Conclusions:
Using Bio-concentration Factor module Bio-concentration Factor of the test chemical was estimated to be 5973, 5972, 5970, 5942 and 5680 at pH range 1-10, 11, 12, 13 and 14, respectively.
Executive summary:

Using Bio-concentration Factor module Bio-concentration Factor of the test chemical was estimated to be 5973, 5972, 5970, 5942 and 5680 at pH range 1-10, 11, 12, 13 and 14, respectively. These value exceed the bio concentration threshold of 5000, indicating that the test chemical is expected to be very bioaccumulate in the aquatic organisms.

Description of key information

Using Bio-concentration Factor module Bio-concentration Factor of the test chemical was estimated to be 5973, 5972, 5970, 5942 and 5680 at pH range 1-10, 11, 12, 13 and 14, respectively. These value exceed the bio concentration threshold of 5000, indicating that the test chemical is expected to be very bioaccumulate in the aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):
5 973 dimensionless

Additional information

Various predicted data of the test chemical were reviewed for the bioaccumulation end point which are summarized as below:

 

In a prediction done by using Bio-concentration Factor module (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)), Bio-concentration Factor of the test chemical was estimated to be 5973, 5972, 5970, 5942 and 5680 at pH range 1-10, 11, 12, 13 and 14, respectively. These value exceed the bio concentration threshold of 5000, indicating that the test chemical is expected to be very bioaccumulate in the aquatic organisms.

 

Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2017) for predicting the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 6420 at pH range 1-10 respectively (at 25 deg C) which exceeds the bio concentration threshold of 5000, indicating that the test chemical is expected to be very bioaccumulative in the food chain.

 

On the basis of above results for test chemical, it can be concluded that the BCF value of test substance was evaluated to be ranges from 5680 to 6420, which exceeds the bioconcentration threshold of 5000, indicating that the test chemical is expected to be very bioaccumulative in the food chain.