Aluminium tristearate

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:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): aluminum trioctadecanoate- Molecular formula (if other than submission substance): C18H36O2.1/3Al- Molecular weight (if other than submission substance): 877.3995 g/mol- Smiles notation (if other than submission substance): 1S/3C18H36O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3-InChI: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3]- Substance type: Organic

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

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

BCFBAF Program (v3.01) Results:

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

SMILES : [Al](OC(=O)CCCCCCCCCCCCCCCCC)(OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC

CCCCCCCC

CHEM : Aluminum stearate

MOL FOR: C54 H105 O6 Al1

MOL WT : 877.42

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

Summary Results:

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

Biotransformation Half-Life (days) : 1.53e+005 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): -0.05 (BAF = 0.893 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 22.69

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:

not specified

Conclusions:

From BCFBAF (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for Aluminum trioctadecanoate is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.

Executive summary:

From BCFBAF (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for Aluminum trioctadecanoate is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that chemical Aluminum trioctadecanoate is not expected to be bioaccumulative in fish and the food chain.

Description of key information

From BCFBAF (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for Aluminum trioctadecanoate is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that chemical Aluminum trioctadecanoate is not expected to be bioaccumulative in fish and the food chain.

Key value for chemical safety assessment

BCF (aquatic species):

3.162 L/kg ww

Additional information

Three studies including predicted data from validated model and experimental results from authorative data source for bioaccumulation (BCF) endpoint of test substance Aluminum trioctadecanoate (Cas no. 637-12-7) with relevant read across which is structurally similar to target were summarized as follows:

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

Above target prediction is supported by experimental result of read across chemical Dibutyltin dilaurate (Cas no. 77-58-7) which suggest Bioaccumulation test was conducted for 8 weeks for determination the bioconcentration factor (BCF) and lipid content of substance Dibutyltin dilaurate (Cas no. 77-58-7) on test organism Cyprinus carpio. The recovery ratio is given- Test water: 85.9 %, Fish: 73.5 %, And Nominal concentrations used in the study as - 1st Concentration area: 2.5 microg/L,2nd Concentration area: 0.25 microg/L and Range finding study was carried out on Rice fish (Oryzias latipes) and the 48 hr LC50 value was found to be >= 0.5 mg/L. By analytical methods, the limit of detection was found to be- Test water: 1st concentration area: 0.34 ng/mL, 2nd concentration area: 0.034 ng/mL,Fish : 2.6 ng/g. Whereas the lipid content at the start and end of exposure was found to be 4%. Thus according to static Fish Test the BCF value for test substance Dibutyltin dilaurate (Cas no. 77-58-7) was observed to be 2.2<= 40 L/kg at dose concentration 2.5 microg/L and 13 <= 110 L/kg at dose concentration 0.25 microg/L on test organism Cyprinus carpio during 8 weeks period. These values indicate that the substance is not bioaccumulative in fish and food chain.(J-CHECK database;2017)

One more study from another data source for same read across i.e Dibutyltin dilaurate (Cas no. 77-58-7) indicate the observed BCF for dibutyltin dilaurate in round crucian carp (Carassius carassius grandoculis) muscle, vertebra, liver, and kidney tissue were 31, 54, 813, and 138, respectively these BCF values suggests bioconcentration in aquatic organisms is low.(HSDB database;2017)

Thus all above available values for bioaccumulation (BCF) is in the range of 2.2 to 813 (L/kg or dimensionless) which gives the final conclusion as target substance Aluminum trioctadecanoate (Cas no. 637-12-7) is non Bioaccumulative in aquatic environment.