1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates

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

Specific details on test material used for the study:

- Name of test material : 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates
- Molecular formula : C26H34N8O8
- Molecular weight : 586.597 g/mol
- Smiles notation : CC(=O)O{-}.N{+}c1ccc(N=Nc2cccc(N=Nc3ccc(N{+}.O{-}C(C)=O)cc3N{+}.O{-}C(C)=O)c2)c(N{+}.O{-}C(C)=O)c1
- Substance type : Organic
- Physical state : Liquid

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:

56.23 L/kg

Basis:

whole body w.w.

Calculation basis:

other: estimated

Remarks on result:

other: Non-bioaccumulative

Validity criteria fulfilled:

not specified

Conclusions:

The bioconcentration factor (BCF) of 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates was estimated to be 56.23 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates is not expected to bioaccumulate in the food chain.

Executive summary:

BCFBAF model of Estimation Programs Interface (2018) was used to predict the bioconcentration factor (BCF) of test chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (CAS No. 84281 -74 -3). The bioconcentration factor (BCF) of 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates was estimated to be 56.23 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates is not expected to bioaccumulate in the food chain.

Description of key information

BCFBAF model of Estimation Programs Interface (2018) was used to predict the bioconcentration factor (BCF) of test chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (CAS No. 84281 -74 -3). The bioconcentration factor (BCF) of 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates was estimated to be 56.23 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates is not expected to bioaccumulate in the food chain.

Key value for chemical safety assessment

BCF (aquatic species):

56.23 L/kg ww

Additional information

Various predicted data for the target compound 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates(CAS No. 84281-74-3) and supporting weight of evidence studies for its structurally and functionally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In a prediction done using the BCFBAF Program of Estimation Programs Interface (2018) was used to predict the bioconcentration factor (BCF) of test chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (CAS No. 84281 -74 -3). The bioconcentration factor (BCF) of 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates was estimated to be 56.23 L/kg whole body w.w (at 25 deg C).

 

In a supporting weight of evidence study from authoritative databases (J-CHECK and EnviChem, 2018) for the test item,bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of test chemical. The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical was prepared inHCO-40.Test chemical nominal conc. used for the study was 0.35 mg/land 0.035 mg/l, respectively. Analytical method involve the recovery ratio: Test water: 98.3 %, Fish : 96.7 %, - Limit of quantitation : Test water :1st concentration area : 100 %, 2nd concentration area : 98.6 %, Fish : 90.8 %, - Limit of detection : Fish : 0.103 ppm. Range finding study involve the TLm(48h) ≥ 100 ppm (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 0.29-2.9 L/Kg at a conc. of 0.35 mg/l and 2.9-11 L/Kg at a conc. of 0.035 mg/l, respectively.

 

For the test chemical,bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of test chemical (J-CHECK and EnviChem, 2018). The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical was prepared inHCO-40.Test chemical nominal conc. used for the study was 0.1mg/land 0.01 mg/l, respectively. Analytical method involve therecovery ratio: Test water: 98.3 %, Fish : 96.7 %, - Limit of quantitation : Test water :1st concentration area : 94.2 %, 2nd concentration area : 100 %, Fish : 80.7 %, - Limit of detection : Fish : 0.0186 ppm. Range finding study involve the TLm(48h) ≥ 420 ppm (w/v)on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 0.38-3.2 L/Kg at a conc. of 0.1 mg/l and 2.4-5.4 L/Kg at a conc. of 0.01 mg/l, respectively.

 

On the basis of above results for target chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (from modelling databases, 2018), it can be concluded that the BCF value of test substance1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates was estimated to be 56.23 L/kg which does not exceed the bioconcentration threshold of 2000, indicating that the chemical1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates is not expected to bioaccumulate in the food chain.