Methyl N-(2,6-dimethylphenyl)-DL-alaninate

Endpoint summary

Description of key information

Short term toxicity to aquatic invertebrates:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on daphnia magna was predicted for 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0). Based on the intoxication of test organism the EC50 value was estimated to be 2.89 mg/l when 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester is considered to be toxic to aquatic environment and can classified as aquatic chronic 2 category per the criteria mentioned in CLP regulation.      

 

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 five closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0). Based on the growth rate inhibition of algae, the EC50 value was estimated to be 2.89 mg/l when 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester exposed to Pseudokirchneriella subcapitata for 72hrs. Based on this value it can be concluded that the substance 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester is considered to be toxic to aquatic environment and can classified as aquatic chronic 2 category per the criteria mentioned in CLP regulation.    

Additional information

Summarized result of toxicity of 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0) on the growth and other activity of aquatic invertebrates, algae and cyanobacteria by considering the data for target as well as RA chemical which was selected on the basis of structural similarity and log Kow as the primary descriptor are as follows:   

Short term toxicity to aquatic invertebrates:

Various predicted data for the target compound 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0) and experimental for supporting weight of evidence studies for its closest read across substance with log Kow as the primary descriptor and on the basis of structural and functional similarity were reviewed for the toxicity on the invertebrates end point which are summarized as below: 

In a prediction done by SSS (2017), using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on daphnia magna was predicted for 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0). Based on the intoxication of test organism the EC50 value was estimated to be 2.89 mg/l when 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester is considered to be toxic to aquatic environment and can classified as aquatic chronic 2 category per the criteria mentioned in CLP regulation.      

 

First predicted study was supported was supported by the structurally similar read across chemical (87-59-2) study were to determine the toxicity of a chemical. Study was conducted to evaluate the toxic nature of chemical 2,3-Dimethylanilin on the mobility of daphnia magna for 48 hrs. Study was performed according to OECD Guideline 202 “Daphnia sp., Acute Immobilisation Test and Reproduction Test”. Static system used in which daphnia incubates with chemical under proper conditions of temperature and pH. Analysis done by the HPLC. Test solution volume 100 mL/vessel was used in which 20 daphnia per concentration added. Test conducted in 4 replicates. Based on the effect on the mobility of test organism daphnia magna due to the exposure of chemical 2,3-Dimethylanilin, the EC50 was 8.9 mg/l with 95 % CL was 7.0 - 12 mg/L. Based on the EC50, it can be concluded that the chemical was toxic to aquatic invertebrates and can be consider to be classified as per the CLP classification criteria.

 

Similarly in a supporting weight of evidence study from j-check, for read across chemical (95-64-7) from J-check 2017, Study was conducted to determine the nature of chemical 3,4-Dimethylaniline when comes in contact with daphnia species. Test performed according to the OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test) in the static system. Test organism exposed with chemical for 48hrs in the proper conditions. After the exposure period effect concentration at which 50% growth inhibited was observed. As the test performed according to the OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test), the EC50 was 1.1 mg/l after the exposure of chemical with test organism for 48 hrs. Based on the EC50, it can be concluded that the chemical was toxic and can be consider to be classified as chronic category 2 as per the CLP classification criteria.

 

The fourth study was conducted on the read across chemical selected on the basis of structure and functionally similarity chemical (131-11-3) from ECOTOX, 2017. Study was conducted to determine the toxic nature of chemical 1,2-Benzenedicarboxylic acid, dimethyl ester on the growth of aquatic invertebrates. Study was conducted by following the static system with the total exposure period of 48 hrs. After 48hrs of exposure effect on the growth of daphnia magna was observed on the basis of immobility. On the basis of immobility of daphnia magna, due to the exposure with chemical 1,2-Benzenedicarboxylic acid, dimethyl ester, the NOEC was 1.7 mg/l.

 

Similarly the fifth study was also supports the classification of chemical. The read across chemical was (51338-27-3) from ECOTOX database. Study was conducted to determine the nature of chemical when comes in contact with the aquatic invertebrates daphnia magna. Test organism exposed for 48hrs with the chemical 2-(4-(2',4'-diclorofenoxi)-fenoxi)-metilpropanoato. In the static conditions test was performed. Immobility of daphnia magna was measured at the effect concentration at which 50 % immobility was observed. Based on the intoxication of daphnia magna due to the exposure of chemical 2-(4-(2',4'-diclorofenoxi)-fenoxi)-metilpropanoato with the daphnia magna for the 48 hrs, EC50 was 1.06 mg/l. Thus based on the EC50, it can be concluded that the chemical was toxic and can be consider to be classified as aquatic chronic category 3 as per the CLP classification criteria.

 

On the basis of above results for target chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0) (from OECD QSAR toolbox version 3.3) and for its read across substance from j-check and ECOTOX database it can be concluded that the test substance 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0) is toxic to aquatic environment and can classified as aquatic chronic 2 category per the criteria mentioned in CLP regulation.      

 

Toxicity to aquatic algae and cyanobacteria: 

Various predicted data for the target compound 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0) and experimental for supporting weight of evidence studies for its closest read across substance with log Kow as the primary descriptor and on the basis of structural and functional similarity were reviewed for the toxicity on the algae end point which are summarized as below: 

In a prediction done by SSS (2017), using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0). Based on the growth rate inhibition of algae, the EC50 value was estimated to be 2.89 mg/l when 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester exposed to Pseudokirchneriella subcapitata for 72hrs. Based on this value it can be concluded that the substance 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester is considered to be toxic to aquatic environment and can classified as aquatic chronic 2 category per the criteria mentioned in CLP regulation.    

 

First predicted study was supported by the structurally similar read across chemical 3,4-Dimethylaniline (95-64-7) from J-check 2017, Study was conducted to determine the nature and effect of chemical 3,4-Dimethylaniline when comes in contact with algae. Test was performed according to the OECD Guideline 201 (Alga, Growth Inhibition Test). Test carried out by using static system in which green algae incubate with chemical for 72 hrs. After exposure of chemical some NOEC and EC50 was calculated. Based on the growth rate inhibition of green algae due to the effect of chemical 3,4-Dimethylaniline, the EC50 and NOEC was 8.6, 2.9 mg/l. But on the basis of AUG the EC50 was 4.6 and the NOEC was 2.9 mg/l. Thus chemical was classified as aquatic chronic 2 as per CLP classification criteria.

 

In the read across chemical (57837-19-1) from ECOTOX database toxicity on aquatic algae was observed. Aim of the study was to evaluate the toxicity of chemical Metalaxyl on the growth of aquatic algae. Test conducted in the static system for the total exposure period of 72hrs. After the incubation period EC50 was observed based on the effect on population of Pseudokirchneriella Subcapitata. Based on the effect of chemical Metalaxyl on the population of Pseudokirchneriella Subcapitata (Green Algae) after the exposure period of 72 hrs, the EC50 was 6.249 mg/l. Thus on the basis of EC50, it can be concluded that the chemical Metalaxyl was toxic to algae and can be consider to be classified as aquatic chronic category 3 as per the CLP classification criteria.

Similarly the third study was also supports the classification of chemical. The read across chemical was (51338-27-3) from ECOTOX database was selected on the basis of functional similarity. Aim of the study was to evaluate the toxicity of chemical 2-(4-(2',4'-diclorofenoxi)-fenoxi)-metilpropanoato (Diclofop-methyl) on the growth of aquatic algae. Test conducted in the static system for the total exposure period of 72hrs. After the incubation period LOEC was observed based on the effect on biomass of blue green algae. Based on the effect of chemical 2-(4-(2',4'-diclorofenoxi)-fenoxi)-metilpropanoato (Diclofop-methyl) on the biomass of Blue-Green Algae Microcystis aeruginosa after the exposure period of 72 hrs, the LOEC was 5 mg/l. Thus on the basis of LOEC, it can be concluded that the chemical was toxic to algae and can be consider to be classified as aquatic chronic category 3 as per the CLP classification criteria.

 

 

On the basis of above results for target chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0) (from OECD QSAR toolbox version 3.3) and for its read across substance from j-check and ECOTOX database it can be concluded that the test substance 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0) is toxic to aquatic environment and can classified as aquatic chronic 2 category per the criteria mentioned in CLP regulation.      

Thus by considering the above all data for aquatic invertebrates and algae, it can be concluded that the chemical 2-(2,6-dimethyl-phenylamino)-propionic acid methyl ester (52888-49-0) was toxic to aquatic lifes and can be consider to be classified as aquatic chronic 2 as per the CLP classification criteria.