9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium acetate

Endpoint summary

Description of key information

Biodegradation in water: The % degradation of the test item after 42 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 41.09 %. Based on the results, the test item, under the test conditions, was considered to be inherently biodegradable in nature.

Bioaccumulation: aquatic / sediment: BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.

Additional information

Biodegradation in water:

42-days Closed Bottle test following the OECD guideline 301 D was performed to determine the ready biodegradability of the test item. The study was performed at a temperature of 20°C. The test system included control, test item and reference item. Polyseed were used for this study. 1 polyseed capsule were added in 500ml D.I water and then stirred for 1 hour for proper mixing and functioning of inoculum. The concentration of test and reference item chosen for both the study was 4mg/L, while that of inoculum was 32 ml/l. OECD mineral medium was used for the study. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % degradation was calculated using the values of BOD and ThOD for test item and reference item. Degradation of Sodium Benzoate exceeds 45.18 % on 7 days & 70.48 %on 14th day. The BOD42 value of test chemical was observed to be 0.9mgO2/mg. ThOD was calculated as 2.19mgO2/mg. Accordingly, the % degradation of the test item after 42 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 41.09 %. Based on the results, the test item, under the test conditions, was considered to be inherently biodegradable in nature.

Bioaccumulation: aquatic / sediment:

Various predicted data for the target compound and supporting weight of evidence study for its read across substance were reviewed for the bioaccumulation endpoint which is summarized as below:

 

In a prediction done using the BCFBAF Program (v3.01) of Estimation Programs Interface (EPI Suite, 2017), the bioconcentration factor (BCF) of test chemical was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance was estimated to be 66 dimensionless . The predicted BCF result is based on the 5 OECD principles.

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the test chemical,

Long term studies was conducted to understand the potential of test chemical to get  bioaccumulate in fresh water fish cyprinus caprio by following “the Notice on the Test Method Concerning New Chemical Substances" guidelines.  The study was conducted for the period of 6 weeks in flow through system.  Fishes was exposed to concentrations of 0.1mg/l and 0.01mg/l, Analytical monitoring results showed that test chemical in the exposure vessels for both concentrations was in range of 93-95%. After the exposure duration of 42, bioconcentration factor (BCF) was determined to be ≤0.2 l/kg and ≤1.7 L/kg at concentration of 0.1 and 0.01 mg/L, respectively.  Based on the overall values obtained, the test chemical is not expected to get bioaccumulate in the aquatic animals.

 

On the basis of above results for test chemical (from EPI suiteand CompTox Chemistry Dashboard, 2017) and for its weight of evidence(from authoritative database J-CHECK, 2107), it can be concluded that the BCF value of test substance ranges from 3.162 – 66 which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.