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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:
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 model developed by the USEPA.
Qualifier:
according to guideline
Guideline:
other: Modelling database
Principles of method if other than guideline:
Prediction done using BCFBAF Program (v3.00) model
GLP compliance:
no
Radiolabelling:
no
Vehicle:
no
Test organisms (species):
other: Fish
Route of exposure:
aqueous
Test type:
not specified
Water / sediment media type:
natural water: freshwater
Test temperature:
25°C
Key result
Temp.:
25 °C
Type:
BCF
Value:
3.162 L/kg
Basis:
whole body w.w.
Calculation basis:
other: estimated
Remarks on result:
other: Non bioaccumulative
Details on results:
From BCFBAF (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for chemical is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.

BCFBAF Program (v3.01) Results:

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

SMILES : c12N(C)C(=CC=CC3=N(OC(=O)C)(C)c4ccccc4C3(C)C)C(C)(C)c1cccc2

CHEM : 3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-

propenyl]-1,3,3-trimethyl-, acetate

MOL FOR: C27 H32 N2 O2

MOL WT : 416.57

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

Summary Results:

Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)

Biotransformation Half-Life (days) : 34.8 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 3.13 (BAF = 1.34e+003 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 4.05

Equation Used to Make BCF estimate:

Log BCF = 0.50 (Ionic; Log Kow dependent)

Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)

Validity criteria fulfilled:
no
Conclusions:
From BCFBAF (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for chemical is 3.162 L/kg wet-wt.
Executive summary:

First predicted report from BCFBAF (v3.00) model of EPI suite, which indicate the estimated bio concentration factor (BCF) for test chemical is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that test chemial is not expected to bio accumulate in fish and in the food chain.

Description of key information

From BCFBAF (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for chemical is 3.162 L/kg wet-wt.

Key value for chemical safety assessment

BCF (aquatic species):
3.162 L/kg ww

Additional information

Following different studies includes estimated study for the target chemical and experimental study for read-across analogues which is extracted by using mechanistic approach and functionally and structurally similar to the target chemical to observe the bioaccumulation of test chemical.

First predicted report from BCFBAF (v3.00) model of EPI suite, which indicate the estimated bio concentration factor (BCF) for test chemical is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that test chemial is not expected to bio accumulate in fish and in the food chain.

 

And another supporting evidence from PBT profiler suggest the Bioaccumulation factor (BCF) for test substance was estimated to be 3.2 L/kg wet-wt at 25 deg.C. Based on the BCF concentration it is concluded that the test chemical is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

The next study was conducted to determine the bioaccumulation of test chemical in Cyprinus carpio. The test was conducted at two different nominal concentrations of 20 ug/l and 2 ug/l for 6 wk of exposure period. The lipid concentration in organism was observed to be 4.4 %. Range finding study involve the LC50(48h) 1.35 mg/L, Rice fish (Oryzias latipes). HCO-40 used as a vehicle at 1st Concentration area: 600 ug/L and 2nd Concentration area: 60 ug/L. The Bioaccumulation factor (BCF) for the substance was determined to be ranges from 198-350 L/kg for 20 ug/l and 177-370 L/kg for 2 ug/l. After the exposure of test chemical withCyprinus carpio for 6 wk, it was observed that the chemical non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

The last is from authoritative database HSDB, the BCF value of test chemical was estimated to be 25 dimensionless by using an estimated log Kow of 2.14 and a regression derived equation. On the basis of this estimated BCF value it can be concluded that test chemical in non bioaccumulative in nature.

 

Thus above both prediction results and experimental studies of read across chemical conclude the test chemical is non bio accumulate in the aquatic environment.