Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate

Endpoint summary

Description of key information

Short-term toxicity to fish:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to fish was predicted Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5). LC50 lethal concentration value was estimated to be 935.79 mg/l for Danio rerio for 96 hrs duration. It was concluded that Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) was likely to be not toxic to fish.

Short-term toxicity to aquatic invertebrate

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to fish was predicted Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5). LC50 lethal concentration value was estimated to be 137.827 mg/l for Daphnia magna for 48hrs duration. It was concluded that Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) was likely to be not toxic to aquatic invertebrate.

Toxicity to aquatic algae and cyanobacteria

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to aquatic algae was predicted Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5). EC50 effecttive concentration value was estimated to be 215.213 mg/l for Desmodesmus subspicatus for 72 hrs duration. It was concluded that Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) was likely to be not toxic to aquatic algae.

Toxicity to microorganisms

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to micro-organisms was predicted Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5). IGC50 Growth inhibition concentration value was estimated to be 264.0 mg/l for Tetrahymena pyriformis for 48 hrs duration. It was concluded that Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) was likely to be not toxic to mico-organisms.

Additional information

Short-term toxicity to fish

Following studies include the predicted data and experimental study for the target chemical and structurally similar read across to conclude the toxicity extent of Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5)towards fish is summarized as follows:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to fish was predicted Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5). LC50 lethal concentration value was estimated to be 935.79 mg/l for Danio rerio for 96 hrs duration. It was concluded that Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) was likely to be not toxic to fish.

The above predicted study of target chemical is supported by the experimental study of read across chemical Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate (CAS: 518-47-8) from the publication Environmental Monitoring and Asessment 1995, suggests that the Ecological assessments included both acute and chronic effects for the 3 life forms: fish, Cladocera (water flea, daphnia), and algae The concern levels identified by use of the SAR technique are expressed ad HIGH, MODERATE, LOW. These values are toxicity values, not exposure values. SAR results are generally regarded by EPA as being reliable. Dyes with aquatic toxicity values below 1mg/l received a HIGH concern rating, those with toxicity values ranging from 1-100mg/l received a MODERATE concern rating and those with toxicity values greater than 100mg/l received a LOW concern rating. The Median Lethal Concentration to 50 % Fish when expeosed to Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate for 96 hr is of 2200 mg/l. It can be concluded fomthe value that the Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate is not toxic to the aquatic envieronment and cnbe considered as "not classified" as per the classification criteria for aquatic environment.

Another experimental study for the similar structurally similar read across Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate (CAS: 518-47-8) from the publication, The Journal of Toxicological Sciences 1978, also suggests that the Short term toxicity test was carried for Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate to study the effects on Oryzias latipes for 48 hr. The species used in this study is Himedaka (Oryzias latipes) of same age (2 cm long and 0.2 in weight) was used for the study. The test fishes were acclimatized for 10 days in tap water. The tests solution is 1 litre solution of pH 7.0 containing 3,000 mg/l of test substance Fluorescein sodium, ten fishes were kept in the tank without direct sunlight for 48 hrs and survival rate was determined. Water temp. was 20ᵒC and aeration was provided with bubbler. Median Tolerance Limit (TLm) was also determined after 24 and 48 hrs. The TLm value was not reported. As no mortality of test animal was observed after 48 hrs, the LC0 value was found to be 3,000 mg/l. Thus, the survival rate of fish after 48 hrs was found to be 100%.The lethal concentration for Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate in 48 hr is 3,000 mg/l. It can be concluded from the value that the Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate is no toxic to the aquatic environment and can be considered as "not classified" as per the classification criteria for aquatic environment.

Thus based on the effect concentrations which is in the range 935 mg/L to 3000 mg/l give the conclusion that test substance Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) was likely to be not toxic to fish at environmentally relevant concentrations and applying weight of evidence it can be considered to be“not classified”as per the CLP classification criteria.

Short-term toxicity to aquatic invertebrate

Following studies include the predicted data and experimental study for the target chemical and structurally similar read across to conclude the toxicity extent ofXanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5)towards aquatic invertebrate is summarized as follows:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to fish was predicted Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5). LC50 lethal concentration value was estimated to be 137.827 mg/l for Daphnia magna for 48hrs duration. It was concluded that Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) was likely to be not toxic to aquatic invertebrate.

The above predicted study of target chemical is supported by the experimental study of read across chemical Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate (CAS: 518-47-8) from the publication Environmental Monitoring and Asessment 1995, suggests thatThe toxicity of dye, fluorescein sodium salt, to Daphnia pulex was assessed using acute level toxicological test. The test organisms were obtained from cultures at or beyond the third fillial(F3) generation. The final concentrations used in the generation of the acute mortality regression are 0, 150, 250, 400, 600 and 800 mg/liter. No control mortality occurred in the acute toxicity experiments. For each concentration tested, 25 ml of test solution was transferred into a 30-ml plastic cup and five neonates were transferred into the test container using a disposable glass pipette. Each concentration was replicated a minimum of four times. The testing regime was 48 h static, nonrenewal.The LC50 for Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate (CAS: 518-47-8) on for Daphnia pulex for 48 hr is 337 mg/L. It can be concluded form the value that the Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate (CAS: 518-47-8) is no toxic to the aquatic invertebrate and can be considered as "not classified" as per the classifiectaion criteria for aquatic environment.

Thus based on the effect concentrations which is in the range 137 mg/L to 337 mg/l give the conclusion that test substance Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) was likely to be not toxic to aquatic invertebrate at environmentally relevant concentrations and applying weight of evidence it can be considered to be“not classified”as per the CLP classification criteria.

Toxicity to aquatic algae and cyanobacteria

Following studies include the predicted data and experimental study for the target chemical and structurally similar read across to conclude the toxicity extent of Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5)towards aquatic algae is summarized as follows:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to aquatic algae was predicted Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5). EC50 effecttive concentration value was estimated to be 215.213 mg/l for Desmodesmus subspicatus for 72 hrs duration. It was concluded that Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) was likely to be not toxic to aquatic algae.

The above predicted study of target chemical is supported by the experimental study of read across chemical Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate (CAS: 518-47-8) from the Lab report UERL 2017, suggests thatThe effect of test itemDisodium 2-(3-oxo-6-oxidoxanthen-9-yl) benzoate, CAS No. 518-47-8 was studied on the growth of fresh water green alga Chlorella vulgaris. The study was conducted following OECD guideline 201- Alga, growth inhibition test. The test concentration chosen for the study were 6.25mg/l, 12.5mg/l, 25mg/l, 50mg/l, 100mg/l and 200mg/l. The test concentrations were prepared using stock solution of the test item using mineral media. The green alga was exposed to the test concentration for a period of 72 hours to observe average specific growth rate and % growth inhibition under the effect of the test item. EC50 calculated graphically through probit analysis was observed to be 209.24 mg/l.

Thus, based on the EC50 value, test substancecan be considered asnon-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

Thus based on the effect concentrations which is in the range 209.24 mg/L to 215.21 mg/l give the conclusion that test substance Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) was likely to be not toxic to aquatic algae at environmentally relevant concentrations and applying weight of evidence it can be considered to be“not classified”as per the CLP classification criteria.

Toxicity to microorganisms

Following studies include the predicted data and experimental study for the target chemical and structurally similar read across to conclude the toxicity extent ofXanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) towards micro-organisms is summarized as follows:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity to micro-organisms was predicted Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5). IGC50 Growth inhibition concentration value was estimated to be 264.0 mg/l for Tetrahymena pyriformis for 48 hrs duration. It was concluded that Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate (CAS:12224-98-5) was likely to be not toxic to mico-organisms.

The above predicted study of target chemical is supported by the experimental study of read across chemical Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate (CAS: 518-47-8) from the publicationANTIMICROBIAL AGENTS AND CHEMOTHERAPY 2002, suggests

that the Toxicity to micro-organisms study was conducted onStaphylococcus aureusof enterotoxigenic strain ATCC 13565.

For the preparation of dye solution, a test portion (approximately 10 mg) was placed in a 10-ml volumetric flask, which was wrapped in aluminum foil, and dissolved by adding aqueous sodium hydroxide (approx. 0.4% NaOH) (1 ml) and water (9 ml).

Inoculum was prepared inbrain heart infusion broth (BHI). Cultures were incubated shaking (200 rpm) at 37°C. All the experiments were conducted under conditions of standard room illumination (fluorescent ceiling light, Sylvania Octron 4100K) in tubes containing 3 ml of medium. Growth was analyzed by measuring turbidity (absorbance at a wavelength of 660 to 680 nm) with a spectrophotometer (Spectronic 21D). Experiments were initiated with ̴0.2 ml of inoculum from a fresh culture grown aerobically at an optical density (OD) of ̴1. Colony counts were measured on BHI plates.

 For the study,a 300-µl aliquot of dye solution (1 mg/ml) was mixed with 0.7 ml of BHI and then added to a tube of diluted culture. The tubes were aerated vigorously, and the OD was measured every 45 min to check culture growth. The survival rate was measured by plating serial dilutions of a sample taken during the experiment on BHI plates.

During the study period of 250 mins, OD was measured every 45 mins to check culture growth.Experiment was performed in triplicate on separate days to ascertain reproducibility.

In Toxicity to micro-organisms study as the test substance Fluorescein sodium; disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate do not have any activity against S. aureus i.e, no difference was observed between the treated test tubes and the control tubes, the NOEC value was found to be  100 mg/l.