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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Biodegradation in water

Biodegradability of 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium (CAS no. 65138 -66 -1) is predicted using OECD QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. Test substance undergoes 8.20% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 9 -[2 -(ethoxycarbonyl) phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium was estimated to be not readily biodegradable in water.

Adsorption/desorption

The adsorption coefficient Koc in soil and in sewage sludge 9-[2-(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7-dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulpho phenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) (CAS No.65138-66-1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Sustainability Support Services (Europe) AB, Study no.65138-66-1/01/2017/KOC, 2017). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with methanol up to10ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.4. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were 4-methylaniline(p-Tolouidine), Nmethylaniline, 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,N-dimethylbenzamide, N-methylbenzamide , Benzamide having Koc value ranging from 1.239 to 2.47. The Log Koc value was determined to be 1.840 ± 0.002 at 25°C. This log Koc value indicates that the substance 9 -[2 -(ethoxy carbonyl)phenyl]-3,6 -bis(ethylamino )-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

Additional information

Biodegradation in water

Predicted data for the target compound 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium (CAS No. 65138-66-1) 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 9 -[2 -(ethoxy carbonyl)phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium(CAS No. 65138-66-1) was estimated.Test substance undergoes 8.20% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 9 -[2 -(ethoxycarbonyl) phenyl]-3,6 -bis(ethylamino)-2,7 -dimethylxanthylium was estimated to be not readily biodegradable in water.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2016) for the read across chemical 3',6'-Bbis(diethylamino)spiro[isobenzofuran-1(3h),9'-[9h] xanthene]-3-one (CAS no. 509-34-2), biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance 3',6'-Bbis(diethylamino)spiro[isobenzofuran-1(3h),9'-[9h] xanthene]-3-one. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of read across substance 3',6'-Bbis(diethylamino)spiro[isobenzofuran-1(3h),9'-[9h]xanthene]-3-one was determined to be 0 and 1% degradation by BOD, TOC removal and HPLC in 28 days.  Thus, based on percentage degradation, 3',6'-Bbis(diethylamino)spiro[isobenzofuran-1(3h),9'-[9h]xanthene]- 3 -one was considered to be not readily biodegradable in nature.

Another biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance 9-(2-carboxyphenyl)-3,6-bis(diethylamino) xanthenium chloride (CAS no. 81-88-9) (J-CHECK, 2017) . 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 substance 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium chloride was 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 2 -[(2-cyanoethyl){4-[(4-nitrophenyl)diazenyl]phenyl}amino]ethyl benzoate (CAS no. 40690-89-9) from authoritative database (J-CHECK, 2017 and EnviChem, 2014), biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance 2 -[(2 -cyanoethyl){4 -[(4 -nitrophenyl)diazenyl]phenyl}amino] ethyl benzoate. The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I)). 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 2 -[(2 -cyanoethyl){4 -[(4 -nitrophenyl)diazenyl]phenyl}amino]ethyl benzoate was determined to be 6% by both BOD and HPLC parameter in 28 days. Thus, based on percentage degradation, 2 -[(2 -cyanoethyl){4 -[(4 -nitrophenyl)diazenyl]phenyl}amino]ethyl benzoate is considered to be not readily biodegradable in nature.

 

On the basis of above results for target chemical 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium (from OECD QSAR toolbox version 3.3, 2017) and for its read across substance (from authoritative database J-CHECK and EnviChem), it can be concluded that the test substance 9 -[2 -(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)- 2,7 -dimethylxanthylium can be expected to be not readily biodegradable in nature.

Adsorption/desorption

The adsorption coefficient Koc in soil and in sewage sludge 9-[2-(ethoxycarbonyl)phenyl]-3,6 -bis(ethylamino)-2,7-dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulpho phenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) (CAS No.65138-66-1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Sustainability Support Services (Europe) AB, Study no.65138-66-1/01/2017/KOC, 2017). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with methanol up to10ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.4. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were 4-methylaniline(p-Tolouidine), Nmethylaniline, 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,N-dimethylbenzamide, N-methylbenzamide , Benzamide having Koc value ranging from 1.239 to 2.47. The Log Koc value was determined to be 1.840 ± 0.002 at 25°C. This log Koc value indicates that the substance 9 -[2 -(ethoxy carbonyl)phenyl]-3,6 -bis(ethylamino )-2,7 -dimethylxanthylium, salt with 4,5 -dihydro-5 -oxo-1 -(4 -sulphophenyl)-4 -[(4 -sulphophenyl)azo]-1H-pyrazole-3 -carboxylic acid (3:1) has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.