Octadecyl stearate

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

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:

flow-through

Water / sediment media type:

natural water: freshwater

Test temperature:

25 deg.C

Reference substance (positive control):

no

Key result

Temp.:

25 °C

Type:

BCF

Value:

3.2 L/kg

Basis:

whole body w.w.

Calculation basis:

other: estimated

Remarks on result:

other: Non bioaccumulative

EPI SUITE prediction:

BCFBAF Program (v3.01) Results:

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

SMILES : O=C(OCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC

CHEM : Octadecanoic acid, octadecyl ester

MOL FOR: C36 H72 O2

MOL WT : 536.97

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

Summary Results:

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

Biotransformation Half-Life (days) : 599 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): -0.02 (BAF = 0.95 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 16.58

Equation Used to Make BCF estimate:

Log BCF = -0.49 log Kow + 7.554 + Correction

Correction(s): Value

No Applicable Correction Factors

Minimum Log BCF of 0.50 applied when Log Kow > 7

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 test chemical is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that test chemical is not expected to bio accumulate in the aquatic environment.

Executive summary:

From BCFBAF (v3.00) model of EPI suite,  the estimated bio concentration factor (BCF) for test chemical is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that test chemical is not expected to bio accumulate in the aquatic environment.

Description of key information

From BCFBAF (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for test chemical is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that test chemical is not expected to bio accumulate in the aquatic environment.

Key value for chemical safety assessment

BCF (aquatic species):

3.2 L/kg ww

Additional information

Three results including different predicted data from validated models and experimental data from authoritative database for bioaccumulation (BCF) endpoint of target chemical Octadecyl stearate (CAS no. 2778-96-3) were summarized as follows:

 

First data from BCFBAF (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for test chemical is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that test chemical is not expected to bio accumulate in the aquatic environment.

Above predicted result of target supported by experimental data of test chemical from authoritative database in this study the

BCF value of test chemical was estimated to be 3.0 dimensionless by using an estimated log Kow of 17.7 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.

Next study was also reviewed from same data source as mentioned above in this the BCF value of test chemical was estimated to be 3.0 dimesionless by using an estimated log Kow of 13.45 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 and the potential for bioconcentration in aquatic organisms (fish) is low.

In another study bioaccumulation of test chemical was conducted on test organism Lepomis macrochirusfor 49 days for evaluating the bioconcentration factor (BCF value) of test chemical. Lepomis macrochirus was used as a test organism for the study. The test was conductedin aerated carbon–filtered well water and Town River water under flow-through system. The BCF after exposure in the contaminated river water was detected with BCF <5 in the filet 94 in the viscera and 13 in the whole body. After 14 days in clear water 93 % of test chemical was detected to be eliminated. It was concluded that bluegill concentrated test chemical in well water about three times more than in river water. 49 days of exposure phase followed by a depuration phase that ranged from 21–35 days. During both phases edible (filets) and inedible (visceral) tissues of 5 fish were analyzed in duplicate for both total radioactivities at least once a week. The bioconcentration factor (BCF value) of test chemicalonLepomis macrochiruswas determined to be 13 at concentration of0.023 mg/l which does not exceed the bioconcentration threshold of 2000, indicating that the test chemicalisnot expected to bioaccumulate in the food chain.

Thus based on the above information for bioaccumulation endpoint, it can be concluded that the test substance is expected to be non bioaccumulative in aquatic environment.