Bis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-)

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Description of key information

Biodegradation in water

Biodegradability of bis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-) (CAS no. 82338 -76 -9) is predicted using QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. Test substance undergoes 3.6% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical bis[[4 -[[4 -(diethylamino)phenyl][4 -(ethylamino)-1 -naphthyl]methylene]cyclohexa-2,5 -dien-1 -ylidene]diethylammonium] dicopper(1 +) hexa(cyano-C)ferrate(4-) was estimated to be not readily biodegradable in water.

Additional information

Biodegradation in water

Various predicted data for the target compoundbis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-) (CAS No. 82338-76-9) and supporting weight of evidence studies for its closest read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemicalbis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-) (CAS No. 82338-76-9) was estimated.Test substance undergoes 3.6% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemicalbis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-)was estimated to be not readily biodegradable in water.

 

In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compoundbis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-) (CAS No. 82338-76-9) in the presence of mixed populations of environmental microorganisms was estimated.The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemicalbis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-)is expected to be not readily biodegradable.

 

In a supporting weight of evidence study from study report (Sustainability Support Services (Europe) AB, Study no.CPSL/GLPS/2010/002, 2010) for the read across chemical 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride (CAS no. 548-62-9),biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance 4 -{bis[4 -(dimethylamino)phenyl]methylidene}-N,N-dimethyl cyclohexa-2,5 -dien-1 -iminium chloride. The study was performed under aerobic conditions according to OECD Guideline 301 F (Ready Biodegradability: Manometric Respirometry Test). Sewage, domestic was used as a test inoculum for the study. The percentage degradation of substance 4-{bis[4-(dimethylamino)phenyl]methyl idene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride was determined to be 3.6% by BOD parameter in 28 days. Thus, based on percentage degradation, 4-{bis[4-(dimethylamino) phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride is considered to be not readily biodegradable in nature.

 

In a another supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium chloride (CAS no. 81-88-9), biodegradation screening study is conducted for 4 weeks. Concentration of inoculum i.e, sludge was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of read across substance 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium chloride is determined to be 0, 2 and 7% degradation by BOD, TOC removal and Uv-Vis parameter in 28 days. Thus, based on percentage degradation, substance 9 -(2 -carboxyphenyl)-3,6 -bis(diethylamino)xanthenium chloride is considered to be not readily biodegradable in nature.

 

For the read across chemical [4-[α-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride (CAS no. 569-64-2) from peer reviewed journal (H. Heukelekian and M. C. Rand, 1955),biodegradation experiment was conducted for 5 days for evaluating the percentage biodegradability of read across substance [4-[α-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride using standard dilution method at a temperature of 20°C. Sewage was used as a test inoculum. The 5 day BOD value of chemical [4-[α-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride was determined to be 0 g/g. Thus, based on this value, [4-[α-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride is considered to be not readily biodegradable in nature.

 

Another biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of the same read across substance [4-[α-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride (CAS no. 569-64-2) (EnviChem, 2014). The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I). Activated sludge was used as a test inoculums for the study. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of substance [4-[α-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride was determined to be 0.3% by BOD parameter in 14 days. Thus, based on percentage degradation, [4-[α-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride is considered to be not readily biodegradable in nature.

 

On the basis of above results for target chemicalbis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-)(from OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (from study report, peer reviewed journal and authoritative database J-CHECK & EnviChem), it can be concluded that the test substancebis[[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]diethylammonium] dicopper(1+) hexa(cyano-C)ferrate(4-)can be expected to be not readily biodegradable in nature.