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EC number: 264-355-5 | CAS number: 63589-47-9
Endpoint summary
Administrative data
Description of key information
Biodegradation in water
Biodegradability of 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) (CAS no. 63589 -47 -9) is predicted using QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. Test substance undergoes 1.86% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) was estimated to be not readily biodegradable in water.
Adsorption / desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) (CAS No. 63589 -47 -9). The soil adsorption coefficient i.e Koc value of 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) was estimated to be 699600 L/kg (log Koc= 5.8448) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
Additional information
Biodegradation in water
Various predicted data for the target compound 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) (CAS No. 63589-47-9) and supporting weight of evidence studies for its closest read across substance with logKow as the primary descriptor 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 chemical 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) (CAS No. 63589-47-9) was estimated.Test substance undergoes 1.86% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) 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 compound 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) (CAS No. 63589-47-9) 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 chemical 3,7 -bis(diethylamino)phenoxazin-5 -ium tetrachlorozincate (2:1) is expected to be not readily biodegradable.
In a supporting weight of evidence study from peer reviewed journal (H. Heukelekian and M. C. Rand, 1955) for the read across chemical [4-[α-[4-(dimethylamino)phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride (CAS no. 569-64-2),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.
For the read across chemical sodium 4-[3,6-bis(diethylamino)-2,7-dimethylxanthenium-9-yl]benzene-1,3-disulfonate (CAS no. 3520-42-1) from authoritative database (J-CHECK, 2016), biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance sodium 4 -[3,6 -bis(diethylamino)-2,7 -dimethylxanthenium-9 -yl]benzene-1,3 -disulfonate. The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I) and other guideline “Biodegradation test of a chemical substance using a microorganism etc.” provided in “the Notice on the Test Method Concerning New Chemical Substances", respectively. Concentration of inoculum i.e, activated 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 was determined to be 6, 0 and 0% by O2 consumption, TOC removal, Test mat. analysis and HPLC parameter in 28 days. Thus, based on percentage degradation, sodium 4 -[3,6 -bis(diethylamino)-2,7 -dimethylxanthenium-9 -yl]benzene-1,3 -disulfonate is considered to be not readily biodegradable in nature.
In a supporting weight of evidence study from authoritative database (J-CHECK, 2016) for the read across chemical Sodium 3-({[4-([4-(dimethylamino)phenyl]{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate (CAS no. 1694-09-3), biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance sodium 3 -({[4 -([4 -(dimethylamino)phenyl]{4 -[ethyl(3 -sulfonatobenzyl)amino]phenyl}methylene)cyclohexa-2,5 -dien-1 -ylidene](ethyl)ammonio}methyl)benzenesulfonate. Concentration of inoculum i.e, activated 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 was determined to be 1, 4 and 0% by BOD, TOC removal and HPLC parameter in 28 days. Thus, based on percentage degradation, 3 -({[4 -([4 -(dimethylamino)phenyl]{4 -[ethyl(3 -sulfonatobenzyl)amino]phenyl}methylene)cyclohexa-2,5 -dien-1-ylidene](ethyl)ammonio}methyl) benzenesulfonate is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) (from OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (from peer reviewed journal and authoritative database J-CHECK & EnviChem), it can be concluded that the test substance 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) can be expected to be not readily biodegradable in nature.
Adsorption / desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) (CAS No. 63589 -47 -9). The soil adsorption coefficient i.e Koc value of 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) was estimated to be 699600 L/kg (log Koc= 5.8448) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 3,7-bis(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1) has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
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