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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species, other
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Estimated data generated using the EPI Suite program developed by the USEPA.
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
Prediction done using BCFBAF (v3.01) model
GLP compliance:
not specified
Radiolabelling:
not specified
Vehicle:
not specified
Test organisms (species):
other: Fish
Route of exposure:
aqueous
Test type:
not specified
Water / sediment media type:
natural water: freshwater
Test temperature:
25 deg.C
Reference substance (positive control):
not specified
Temp.:
25 °C
Type:
BCF
Value:
162.2 L/kg
Basis:
whole body w.w.
Calculation basis:
other: estimated
Remarks on result:
other: Non-bioaccumulative

BCFBAF Program (v3.01) Results:

==============================

SMILES : O=C(OC(c(cccc1)c1)C(CL)(CL)CL)C

CHEM : Benzenemethanol, .alpha.-(trichloromethyl)-, acetate

MOL FOR: C10 H9 CL3 O2

MOL WT : 267.54

--------------------------------- BCFBAF v3.01 --------------------------------

Summary Results:

Log BCF (regression-based estimate): 2.21 (BCF = 162 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.117 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 1.67 (BAF = 47.1 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 3.85

Equation Used to Make BCF estimate:

Log BCF = 0.6598 log Kow - 0.333 + Correction

Correction(s): Value

No Applicable Correction Factors

Estimated Log BCF = 2.210 (BCF = 162.2 L/kg wet-wt)

Validity criteria fulfilled:
not specified
Conclusions:
Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bioconcentration factor (BCF) for test chemical is 162.2 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is nonbioaccumulative in food chain.
Executive summary:

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bioconcentration factor (BCF) for test chemical is 162.2 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical  is nonbioaccumulative in food chain.

Description of key information

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bioconcentration factor (BCF) for test chemical is 162.2 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical  is nonbioaccumulative in food chain.

Key value for chemical safety assessment

BCF (aquatic species):
162.2 L/kg ww

Additional information

Predicted data study for target chemical and experimental studies for its structurally similar read across chemicals have been reviewed for bioccumulation endpoint and their results are summarized below

In first study using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bioconcentration factor (BCF) for test chemical was determined to be 162.2 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000.

To support above prediction experimental study was reviewed from authoritative database in this study the bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 1.9 and a regression derived equation.

The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 8.0 dimensionless.

Last study was also reviewed from authoritative database in this study the bioaccumulation study in aquatic organisms was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 3.15 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 3 dimensionless.

The BCF values of all above mentioned studies does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-bioaccumulative in aquatic organisms.