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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species, other
Remarks:
aquatic organisms
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data is from HSDB and PubChem authoritative database
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Environmental bioconcentration factor of the test chemical was estimated using a logKow and a regression-derived equation.
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
Details on estimation of bioconcentration:
BASIS FOR CALCULATION OF BCF
- Result based on calculated logKow of: 0.37
Key result
Type:
BCF
Value:
3 dimensionless
Basis:
whole body w.w.
Calculation basis:
other: BCF value of test chemical was estimated using a logKow and a regression-derived equation.
Remarks on result:
other: Other details not known

According to a classification scheme, the BCF value of test chemical suggests the potential for bioconcentration in aquatic organisms is low.

Validity criteria fulfilled:
not specified
Conclusions:
The estimated BCF (bioaccumulation factor) of test chemical was determined to be 3.0 dimensionless.
Executive summary:

The bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a logKow of 0.37 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 3.0 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-accumulative in aquatic organisms.

Description of key information

The bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (authoritative database, 2017). The bioaccumulation factor (BCF) value was calculated using a logKow of 0.37 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 3.0 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-accumulative in aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):
3 dimensionless

Additional information

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

 

In an experimental key study from authoritative databases (2017), the bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a logKow of 0.37 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 3.0 dimensionless.

 

In a prediction done using the BCFBAF program of Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).

 

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test chemical was estimated to be 4.29 dimensionless . The predicted BCF result based on the 5 OECD principles.

 

On the basis of above results for target chemical, it can be concluded that the BCF value of test chemicalwas determined to be ranges from 3.0– 4.29, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.

Bioaccumulation endpoint can also be considered for waiver as per in accordance with column 2 of Annex IX of the REACH regulation, testing for this endpoint is scientifically not necessary and does not need to be conducted since the test chemical has a low potential for bioaccumulation based on logKow ≤ 3.