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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:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from computational model developed by USEPA
Qualifier:
according to guideline
Guideline:
other: Modelling database
Principles of method if other than guideline:
BCFBAF Program (v3.00)
GLP compliance:
no
Radiolabelling:
no
Vehicle:
no
Test organisms (species):
other: Fish
Route of exposure:
aqueous
Test type:
other: Estimated
Water / sediment media type:
not specified
Reference substance (positive control):
no
Key result
Type:
BCF
Value:
48.76 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(OCc(cccc1)c1)CCC

CHEM : Butanoic acid, phenylmethyl ester

MOL FOR: C11 H14 O2

MOL WT : 178.23

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

Summary Results:

Log BCF (regression-based estimate): 1.69 (BCF = 48.8 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.0278 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 1.04 (BAF = 11 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 3.06

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 = 1.688 (BCF = 48.76 L/kg wet-wt)

Validity criteria fulfilled:
not specified
Conclusions:
The estimated bio concentration factor (BCF) for tset chemical is 48.76 L/kg whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that test chemical was not expected to bioaccumulate in the food chain.
Executive summary:

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite) was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 48.76 L/kg whole body w.w (at 25 °C) which does not exceed the bio concentration threshold of 2000, indicating that the test chemical was not expected to bioaccumulate in the food chain.

Description of key information

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite) was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 48.76 L/kg whole body w.w (at 25 °C) which does not exceed the bio concentration threshold of 2000, indicating that the test chemical was not expected to bioaccumulate in the food chain.

Key value for chemical safety assessment

BCF (aquatic species):
48.76 L/kg ww

Additional information

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite) was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 48.76 L/kg whole body w.w (at 25 °C) which does not exceed the bio concentration threshold of 2000, indicating that the test chemical was not expected to bioaccumulate in the food chain.

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