Diisopropyl adipate

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

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:

60.43 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(=O)(CCCCC(=O)(OC(C)C)))C(C)C

CHEM : Hexanedioic acid, bis(1-methylethyl) ester

MOL FOR: C12 H22 O4

MOL WT : 230.31

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

Summary Results:

Log BCF (regression-based estimate): 1.78 (BCF = 60.4 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.0107 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 0.80 (BAF = 6.3 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 3.20

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 = 1.781 (BCF = 60.43 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 60.43 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 60.43 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 60.43 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.

Key value for chemical safety assessment

BCF (aquatic species):

60.43 L/kg ww

Additional information

Various studies have been reviewed for test chemical for Bioaccumulation in aquatic organisms endpoint and their results are summarized below.

The first study 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 60.43 L/kg wet-wt at 25 deg. c.

Next study was done by using Bio-concentration Factor (v12.1.0.50374) module of ACD lab in this study the Bio-concentration Factor at range pH 1 -14 was estimated to be 77.4 dimensionless. This value indicates that the chemical is non-bioaccumulative in aquatic organisms.

Last study was reviewed fromsupporting documents of High Production Volume Chemicals in this studythe Bioaccumulation concentration Factor (BCF) of test chemical was estimated to be 59 dimensionless. BY considering this BCF value it is concluded that test chemical is non-bioaccumulative in nature.

By considering results of all the studies mentioned above it can be concluded that test chemical is non-bioaccumulative in nature.