4'-aminoazobenzene-4-sulphonic acid

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:

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 : O=S(=O)(O)c(ccc(N=Nc(ccc(N)c1)c1)c2)c2

CHEM : Benzenesulfonic acid, 4- (4-aminophenyl)azo -

MOL FOR: C12 H11 N3 O3 S1

MOL WT : 277.30

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

Summary Results:

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

Biotransformation Half-Life (days) : 0.0595 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): -0.01 (BAF = 0.975 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 0.04

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:

not specified

Conclusions:

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for test chemical is 3.162 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 non-bioaccumulative 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 3.162 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 non-bioaccumulative 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 3.162 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 non-bioaccumulative in food chain.

Key value for chemical safety assessment

BCF (aquatic species):

3.162 L/kg ww

Additional information

Different studies have been reviewed for Bioaccumulation in aquatic organisms endpoint for test chemical and its read across chemicals and their results are summarized below.

In first study bio concentration factor (BCF) of test chemical was estimated by using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for test chemical was 3.162 L/kg wet-wt at 25 deg. c .

Next study was reviewed from authoritative database (HSDB) in this study the BCF value of test chemical estimated was 3.0 dimensionless by using a log Kow of 0.97 and a regression derived equation.

Another study was also reviewed from authoritative database (HSDB) in this study the BCF value of test chemical was estimated to be 30 dimensionless by using a measured water solubility and a recommended regression-derived equation.

By considering the results of all the studies mentioned above it is concluded that BCF value of test chemical is in range of 3.162 -30 dimensionless and this range BCF value is far less than 2000 criteria of CLP regulation. On the basis of this range BCF value it is concluded that test chemical is non-bioaccumulative.