3,3'-(1,4-phenylenediimino)bis[4,5,6,7-tetrachloro-1H-isoindol-1-one]

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:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

Data is from peer reviewed journal

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

Environmental bioconcentration factor (BCF) of the test chemical was estimated using Degradation Effects Bioconcentration Information Testing Strategies (DEBITS) Quantitative Structure-Activity Relationships (QSARs) and PBT profiler QSARs.

GLP compliance:

not specified

Radiolabelling:

not specified

Vehicle:

not specified

Test organisms (species):

not specified

Test type:

not specified

Water / sediment media type:

not specified

Reference substance (positive control):

not specified

Key result

Type:

BCF

Value:

1 916 dimensionless

Basis:

not specified

Calculation basis:

other: BCF value of test chemical was estimated using DEBITS Quantitative Structure-Activity Relationships (QSARs) and PBT profiler QSARs.

Remarks on result:

other: Other details not known

Table: BCF value of test chemical estimated by using DEBITS QSARs and PBT profiler QSARs.

 

No.	Chemical	DEBITS 2		PBT profiler
		BCF	B	BCF	B
1	Test chemical	1916	M	1916	M

 

Where,

BCF = bioconcentration factor

B = bioconcentration score

Validity criteria fulfilled:

not specified

Conclusions:

The estimated BCF (bioaccumulation factor) of test chemical was determined to be 1916 dimensionless by using DEBITS QSARs and PBT profiler QSARs.

Executive summary:

Environmental bioconcentration factor (BCF) of the test chemical was estimated usingDegradation Effects Bioconcentration Information Testing Strategies (DEBITS) Quantitative Structure-Activity Relationships (QSARs) and PBT profiler QSARs. DEBITS bioconcentration factors (BCFs) were predicted using the BCFWIN program from the Syracuse Research Corporation (SRC) EPI Suite of estimation programs. BCFs were estimated from the octanol–water partition coefficient (logP) and a series of structural correction factors. Chemicals with BCFs >1000, but <5000 were assigned a medium bioconcentration potential. Chemicals with BCFs>5000 were assigned a high bioconcentration potential.The PBT profiler’s BCFs were predicted using the BCFWIN program. Chemicals with BCFs < 5000 were assigned a medium bioconcentration potential. Chemicals with BCFs>5000 were assigned a high bioconcentration potential. The estimated BCF (bioaccumulation factor) of test chemical was determined to be 1916 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical is considered to be non-accumulative in aquatic organisms.

Description of key information

Environmental bioconcentration factor (BCF) of the test chemical was estimated using Degradation Effects Bioconcentration Information Testing Strategies(DEBITS) Quantitative Structure-Activity Relationships (QSARs) and PBT profiler QSARs (J. D. Walkers et. al., 2002). DEBITS bioconcentration factors (BCFs) were predicted using the BCFWIN program from the Syracuse Research Corporation (SRC) EPI Suite of estimation programs.BCFs were estimated from the octanol–water partition coefficient (logP) and a series of structural correction factors. Chemicals with BCFs >1000, but <5000 were assigned a medium bioconcentration potential. Chemicals with BCFs>5000 were assigned a high bioconcentration potential.The PBT profiler’s BCFs were predicted using the BCFWIN program. Chemicals with BCFs < 5000 were assigned a medium bioconcentration potential. Chemicals with BCFs>5000 were assigned a high bioconcentration potential. The estimated BCF (bioaccumulation factor) of test chemical was determined to be 1916 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical is considered to be non-accumulative in aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):

1 916 dimensionless

Additional information

Various experimental studies of the test chemical were reviewed for the bioaccumulation end point which are summarized as below:

 

In an experimental key study from peer reviewed journal (J. D. Walkers et. al., 2002) for the test chemical,Environmental bioconcentration factor (BCF) of the test chemical was estimated using Degradation Effects Bioconcentration Information Testing Strategies (DEBITS) Quantitative Structure-Activity Relationships (QSARs) and PBT profiler QSARs. DEBITS bioconcentration factors (BCFs) were predicted using the BCFWIN program from the Syracuse Research Corporation (SRC) EPI Suite of estimation programs. BCFs were estimated from the octanol–water partition coefficient (logP) and a series of structural correction factors. Chemicals with BCFs >1000, but <5000 were assigned a medium bioconcentration potential. Chemicals with BCFs>5000 were assigned a high bioconcentration potential. The PBT profiler’s BCFs were predicted using the BCFWIN program. Chemicals with BCFs < 5000 were assigned a medium bioconcentration potential. Chemicals with BCFs>5000 were assigned a high bioconcentration potential. The estimated BCF (bioaccumulation factor) of test chemical was determined to be 1916 dimensionless.

 

In an supporting study, Environmental bioconcentration factor (BCF) of the test chemical was estimated using the Syracuse BCFWIN of the EPIWIN model (Henrik Tyle et. al., 2002). The model is an empirically based fragmentation model, which takes into account that certain structural and molecular factors influence bioaccumulation. The estimated BCF (bioaccumulation factor) of test chemical was determined to be 1905 dimensionless.

 

For the test chemical from authoritative databases (2017), bioaccumulation study was conducted for determining the BCF (bioaccumulation factor) value of test chemical. Poecilia reticulata (guppy) (female) was used as a test organism for the study. The BCF (bioaccumulation factor) of test chemical was determined to be 703 dimensionless.

 

On the basis of above results for test chemical, it can be concluded that the BCF value of test substancewas evaluated to be upto1916,which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.