Methyl trifluoroacetate

Short-term toxicity to fish

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to fish

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Data is from prediction model by US EPA

Qualifier:

according to guideline

Guideline:

other: Modeling database

Principles of method if other than guideline:

ECOSAR v1.00

GLP compliance:

no

Specific details on test material used for the study:

Name of test material: Methyl trifluoroacetate
Molecular formula: C3H3F3O2
Molecular weight: 128.05 g/mol
-Smiles notation : COC(=O)C(F)(F)F
- InChl (if other than submission substance): InChI=1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3
- Substance type: Organic
-Physical Appearance: Solid

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

other: Fish

Test type:

static

Water media type:

freshwater

Total exposure duration:

96 h

Key result

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

1 287.5 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Conclusions:

Based on the EPI Suite ECOSAR version 1.10 prediction model, the 96 hours LC50 was estimated to be 1287.5 mg/l on Fish for Methyl trifluoroacetate (CAS no.431-47-0) on the basis of mortality effect.

Executive summary:

Using the EPI Suite ECOSAR version 1.11, the short term toxicity on fish was predicted for Methyl trifluoroacetate (CAS no.431-47-0) the effects observed in a static freshwater system. The lethal concentration LC50 value for the substance was estimated to be 1287.5 mg/l for fish for 96 hr exposure duration. Based on this lethal value it can be concluded that the Methyl trifluoroacetate (CAS no.431-47-0) can be considered to be non toxic to aquatic environment and thus it can be considered as not classified according to the CLP classification criteria.

Description of key information

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 be 1287.5 mg/l for Methyl trifluoroacetate in 96 hrs.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Effect concentration:

1 287 mg/L

Additional information

Two studies including predicted data from validated tools and authorative database for short term fish endpoint of test chemical Methyl 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