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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
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:
1 985 L/kg
Basis:
whole body w.w.
Calculation basis:
other: estimated
Remarks on result:
other: Non-bioaccumulative

BCFBAF Program (v3.01) Results:

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

SMILES : OC(CCCC1C(C(CC2C3(C)C)C3C)C2)C1

CHEM : Cyclohexanol, 3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)-

8

MOL FOR: C16 H28 O1

MOL WT : 236.40

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

Summary Results:

Log BCF (regression-based estimate): 3.30 (BCF = 1.98e+003 L/kg wet-wt)

Biotransformation Half-Life (days) : 16.8 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 4.24 (BAF = 1.74e+004 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 5.50

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 = 3.298 (BCF = 1985 L/kg wet-wt)

Validity criteria fulfilled:
not specified
Conclusions:
Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for test chemical is 1985 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 bio concentration factor (BCF) for test chemical is 1985 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 bio concentration factor (BCF) for test chemical is 1985 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. but since its very close to 2000 value it can be considered as bioaccumulative substance

Key value for chemical safety assessment

BCF (aquatic species):
1 985 L/kg ww

Additional information

Predicted data study for target chemical and experimental studies for its read across chemical have been reviewed and their results are summarized below.

The first was done by using BCFBAF Program (v3.00) model of EPI suite (2018) in this study the bio concentration factor (BCF) for test chemical was estimated to be 1985 L/kg wet-wt at 25 deg. c

Further following both the studies were reviewed from authoritative database (HSDB)

The bioaccumulation factor (BCF) value was calculated using a log Kow of 4.35 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 450 dimensionless.

In another study the bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 4.39 and a regression derived equation. The BCF (bioaccumulation factor) value of test chemical was determined to be 1300 dimensionless.

By considering result of all the studies mentioned above it is concluded that BCF value of test chemical may be in range of 450 -1985 dimensionless which does not exceed the bioconcentration threshold of 2000 but yet very close to threshold value, indicating that the chemical can be considered to be bioaccumulative in aquatic organisms.

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