Methyl trifluoroacetate

Endpoint summary

Description of key information

Short-term toxicity to fish

Using prediction by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program suggest the LC50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be1287.5 mg/lfor Methyl trifluoroacetate in 96 hrs.

Short-term toxicity to aquatic invertebrates

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Methyl trifluoroacetate (CAS no.431-47-0). Effect concentration i.e EC50 value was estimated to be 274.62 mg/l for Daphnia magna for 48 hrs duration.

Toxicity to aquatic algae and cyanobacteria

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substanceMethyl trifluoroacetate(CAS no.431-47-0). EC50 value was estimated to be 210.41 mg/l for Desmodesmus subspicatus for 72 h duration. Based on this value it can be concluded that the substanceMethyl trifluoroacetate(CAS no.431-47-0) is likely to be non toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

Additional information

Short-term toxicity to fish

Two studies including predicted data from validated tools and authorative database for short term fish endpoint of test chemicalMethyl trifluoroacetate(Cas no. 431 -47 -0) log Kow as primary descriptor were summarised as follows:

Using prediction by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program suggest the LC50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be1287.5 mg/lfor Methyl trifluoroacetate in 96 hrs.

According to aquatic toxicity module i.e ACD/LabsI-Lab 2.0; Algorithm Version: v5.0.0.184 the lethal concentration (LC50) of Methyl trifluoroacetate was predicted to be 720 mg/l on fish species Fathead minnow (Pimephales promelas).

The Reliability Index (RI) of the prediction was reported to be 0.51(As per model substance have moderate and high reliability if RI > 0.5). Thus reported RII value indicates it has moderate reliability.

Thus based on the all available effect concentrations which is in the range of 720 mg/l to 1287 mg/l for target and read across chemicals which come to the conclusion that test substance Methyl trifluoroacetate (Cas no. 431-47-0) was likely to be non-toxic to aquatic invertebrates as it not exceed the classification criteria, hence it can be considered to be not classified as per the CLP regulation.

Short-term toxicity to aquatic invertebrates

Four studies including predicted data from validated tools and experimental data from peer reviewed journal and authorative database for short term aquatic invertebrate’s endpoint of test chemicalMethyl trifluoroacetate (CAS no.431-47-0)with relevant read across which is close to target

using log Kow as primary descriptor were summarised as follows:

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Methyl trifluoroacetate (CAS no.431-47-0). Effect concentration i.e EC50 value was estimated to be 274.62 mg/l for Daphnia magna for 48 hrs duration.

Similar prediction by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program suggest the LC50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be653 mg/Lfor fish for 96 hr.

Short-term toxicity test was carried out to study the effects Isopentyl lactate on aquatic invertebrates under static condition. Effective concentration at which the organisms found to be immobile was measured.Effective concentration to 50% of Daphnia magna for Isopentyl lactate is 320 mg/L. On the basis of which it can be concluded that the Isopentyl lactate is not toxic to aquatic invertebrates. And can be considered to be “not classified” under CLP regulation

Another read acrossIsopentyl lactate(CAS no. 19329-89-6) the experimental result from peer reviewed journalChemosphere1998 which suggest theShort-term toxicity test was carried out to study the effects Butyl lactate on aquatic invertebrates under static condition. Effective concentration at which the organisms found to be immobile was measured.Effective concentration to 50% of Daphnia magna for Isopentyl lactate is 193 mg/L.

Thus based on the all available effect concentrations which is in the range of 193 mg/l to 653 mg/l for target and read across chemicals which come to the conclusion that test substance Methyl trifluoroacetate (CAS no.431-47-0) was likely to be non-toxic to aquatic invertebrates as it not exceed the classification criteria, hence it can be considered to be not classified as per the CLP regulation.

Toxicity to aquatic algae and cyanobacteria

Four studies including predicted data from validated tools and experimental data from secondary source

for toxicity to aquatic algae endpoint of test chemical Methyl trifluoroacetate(CAS no.431-47-0) with relevant read across which is close to target using log Kow as primary descriptor were summarised as follows:

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance Methyl trifluoroacetate(CAS no.431-47-0). EC50 value was estimated to be 210.41 mg/l for Desmodesmus subspicatus for 72 h duration.

Similar prediction by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program suggest on the basis of effects observed in a static freshwater system, the effect concentration EC50 value for the substance is estimated to be 306.67 mg/l for green algae for 96 h duration.

The above predicted results for target assisted by experimental data of read across chemicalButyl lactate(CAS no: 138-22-7)frompeer reviewed journalChemosphere 1998the effect concentration (EC50) of substanceButyl lactate(CAS no: 138-22-7)in test speciesPseudokirchneriella subcapitatawas observed to be 375 mg/l on the basis of Growth Rate effect for 72 hrs exposure period.

 

Another experimental data of read across chemicalIsopentyl lactate(CAS no: 19329-89-6)frompeer reviewed journalChemosphere 1998,Toxicity to aquatic algae and cyanobacteria test was carried out to study the effects of Isopentyl lactate on Pseudokirchneriella subcapitata under static conditions. Effective concentration to 50% of Pseudokirchneriella subcapitata is 320 mg/L considering decreasing Population growth rate.

 

Thus based on the effect concentrations which is in the range 210.41 mg/l to 375 mg/l give the conclusion that test substanceMethyl trifluoroacetate (CAS no.431-47-0)was likely to be non-toxic to aquatic algae at environmentally relevant concentrations and can be considered to be not classified as per the CLP classification criteria.