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Bioaccumulation: aquatic / sediment

Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor of the test substance 1,4-bis[(2-methylphenyl)amino]anthraquinone (CAS no. 6737 -68 -4) was estimated to be 6215, 7406, 7550, 7565 and 7567 at pH range 0, 1, 2, 3 and 4-14, respectively. This value indicates that the test substance 1,4-bis[(2-methylphenyl)amino]anthraquinone was considered to be very bioaccumulative in aquatic organisms.

Additional information

Bioaccumulation: aquatic / sediment

Various predicted data and experimental study for the target compound1,4-bis[(2-methylphenyl)amino]anthraquinone (CAS No. 6737-68-4) and supporting weight of evidence study for its structurally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In a prediction done by using Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBio-concentration Factor (BCF) of the test substance 1,4-bis[(2-methylphenyl)amino]anthraquinone (CAS no. 6737 -68 -4) was estimated to be 6215, 7406, 7550, 7565 and 7567 at pH range 0, 1, 2, 3 and 4-14, respectively. This value indicates that the test substance 1,4-bis[(2-methylphenyl)amino]anthraquinone was considered to be very bioaccumulative in aquatic organisms.

 

Bioconcentration Factor (BCF) of test chemical 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be 6684.17 at pH 5.5 and 6684.65 at pH 7.4, respectively, which exceeds the bioconcentration threshold of 5000, indicating that the chemical 1,4-bis[(2-methylphenyl)amino]anthraquinone is expected to very bioaccumulate in the food chain.

 

Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical 1,4-bis[(2-methylphenyl)amino]anthraquinone (CAS No. 6737 -68 -4). The bioconcentration factor (BCF) of 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be 118000 at pH 1 and 120000 at pH range 2-10, respectively (at 25 deg C) which does exceeds the bio-concentration threshold of 5000, indicating that the chemical 1,4-bis[(2-methylphenyl)amino]anthraquinone is expected to very bioaccumulate in the food chain.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical 1,4-bis(isopropylamino)-9,10-anthraquinone (CAS no. 14233-37-5),bioaccumulation experiment was conducted on test organism Cyprinus carpio for 60 days for evaluating the bioconcentration factor (BCF value) of 1,4-bis(isopropylamino)-9,10-anthraquinone. The study was performed according to “OECD Guideline 305 (Bioconcentration: Flow-through Fish Test)” and 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 nominal conc. used for the study were 0.001mg/l and 0.0001 mg/l, respectively. Test chemical solution was prepared in HCO-20. Analytical method involve the recovery ratio: Test water :96.9%, Fish : 84.9 %, - Limit of quantitation : Test water : 1st concentration area : 0.058 microg/L, 2nd concentration area : 0.0058 microg/L, Fish : 6.2 ng/g. Range finding study involve the LC50 (96 hr) > 0.100 mg/l (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance 1,4-bis(isopropylamino)-9,10-anthraquinone on Cyprinus carpio was determined to be 5400 L/Kg at a conc. of 0.001 mg/l and 5300 L/Kg at a conc. of 0.0001 mg/l, respectively, which exceeds the bioconcentration threshold of 5000, indicating that the chemical 1,4-bis(isopropylamino)-9,10-anthraquinone is expected to very bioaccumulate in the food chain.

 

On the basis of above overall results for target chemical 1,4-bis[(2-methylphenyl)amino]anthraquinone (from ACD labs,ChemSpider and Scifinder,2017) and for its read across substance from authoritative database (J-CHECK, 2017), it can be concluded that the BCF value of test substance 1,4-bis[(2-methylphenyl)amino]anthraquinone ranges from 6215– 120000, which does exceeds the bioconcentration threshold of 5000, indicating that the chemical 1,4-bis[(2-methylphenyl)amino]anthraquinone is expected to be very bioaccumulate in the food chain.

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