Phenethyl butyrate

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:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Data is from computational model developed by USEPA

Qualifier:

according to guideline

Guideline:

other: Modeling database

Principles of method if other than guideline:

Short term effect of test chemical were determine and estimated on the mortality of fish.

GLP compliance:

no

Analytical monitoring:

no

Vehicle:

no

Test organisms (species):

other: Fish

Test type:

static

Water media type:

freshwater

Total exposure duration:

96 h

Reference substance (positive control):

no

Key result

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

6.348 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Remarks on result:

other: Neutral Organic SAR:(Baseline Toxicity)

Validity criteria fulfilled:

not specified

Conclusions:

The predicted data from ECOSAR v1.1 model suggests the lethal concentration (LC50) for test chemical was estimated to be 6.348 mg/l on the basis of mortality effects with duration 96 hrs.

Executive summary:

Acute short term effect of test chemical were determine and estimated on the mortality of fish using (EPI suite, ECOSAR version 1.1, 2016) were conducted to assess toxic effects of test chemical and the results were predicted. The data was based on the effects of the test compound on fish in a static fresh water system. The lethal concentration (LC50) for test chemical was predicted to be 6.348 mg/l on the basis of mortality effects.

Based on lethal concentration, it can be concluded that test chemical considered as toxic to fish and thus can be classified as aquatic chronic category 2. Since the chemical is readily biodegradable in nature thus it is considered as non-toxic to fish and thus cannot be classified as hazardous as per the CLP criteria.

Description of key information

Acute short term effect of test chemical were determine and estimated on the mortality of fish using (EPI suite, ECOSAR version 1.1, 2016) were conducted to assess toxic effects of test chemical and the results were predicted. The data was based on the effects of the test compound on fish in a static fresh water system. The lethal concentration (LC50) for test chemical was predicted to be 6.348 mg/l on the basis of mortality effects. Based on lethal concentration, it can be concluded that test chemical considered as toxic to fish and thus can be classified as aquatic chronic category 2. Since the chemical is readily biodegradable in nature thus it is considered as non-toxic to fish and thus cannot be classified as hazardous as per the CLP criteria.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Effect concentration:

6.348 mg/L

Additional information

Various experimental and predicted studies available for the test chemical and structually and functionally similar read across chemical from peer reviewed journals were reviewed to determine the toxic nature of the test chemical on the mortality of fish. The studies are as mention below:

In the first data short term effect of test chemical were determine and estimated on the mortality of fish using (EPI suite, ECOSAR version 1.1, 2016) were conducted to assess toxic effects of test chemical and the results were predicted. The data was based on the effects of the test compound on fish in a static fresh water system. The lethal concentration (LC50) for test chemical was predicted to be 6.348 mg/l on the basis of mortality effects. Based on lethal concentration, it can be concluded that test chemical considered as toxic to fish and thus can be classified as aquatic chronic category 2. Since the chemical is readily biodegradable in nature thus it is considered as non-toxic to fish and thus cannot be classified as hazardous as per the CLP criteria.

Prediction done using average value of both models i.e Leadscope and SciMatics SciQSAR model and the result were predicted in Battery model. Based on the QSAR prediction done using the Danish (Q)SAR Database, the 96 hours LC50 was estimated to be 3.31 mg/l on Pimephales promelas for test substance with mortality effects. Thus based on this value it can be concluded that the substance can be classified as toxic as per the criteria of CLP regulation. But as the chemical readily biodegrade in water, thus on that basis, chemical consider to be nontoxic and not classified as per the CLP classification criteria.

Above predicted data was supported by the another data from experimental report. Study was conducted to assess the effect of test chemical on the mortality of fish Danio rerio. Test conducted according to OECD Guideline 203 (Fish, Acute Toxicity Test). Therefore the stock solution prepared as 2g /4 liter, with the concentration of 500 mg/L, and was kept for 4 hours stirring. After the completion of stirring, the sample was run through HPLC system for getting the actual water solubility of the test substance. The actual solubility obtained was 122.66 mg/L. From this stock solution further test concentrations were prepared for achieving test concentrations of 6.25mg/L, 12.5mg/L, 25mg/L, 50mg/L, 100mg/L, respectively. Potable water (passed through reverse osmosis system) was used and Zebra FishDanio reriowere exposed to these concentration for 96 hours. Bowl aquaria containing 2 liters of potable water (passed through reverse osmosis system) were loaded with 8 fishes. A static procedure was used for the study and it was conducted in compliance with the OECD guideline 203. After 96 hours of exposure to test item to various nominal test concentrations, LC50 was determine to be 12.5 mg/l . Based on the LC50, it can be consider that the chemical was toxic and can be consider to be classified aq aquatic chronic 3 as per the CLP classification criteria. But on the basis of readily biodegradability of test chemical, chemical consider to be nontoxic and not classified as per the CPL classification criteria.

In fourth experimental study from peer reviewed journal short term toxicity study to Cyprinus carpio was carried out for 44 hrs. Test was performed under flow through conditions. After exposure of test animal to different dose conc. i.e, at 68, 130 and 146 mg/l of test chemical. Glass-fronted, fiberglass tanks were used in the study, no effects were observed on the test animal. Thus, the NOEC value was consider to be 146 mg/l respectively.

This fifth study was designed to access the toxic effects of the test compound on the Zebra fish (Danio rerio). Bowl aquaria containing 4 liters of potable water (passed through reverse osmosis system) were loaded with 8 fishes each. A static procedure was used for the study and it was conducted in compliance with the OECD guideline 203.The nominal concentration selected for the experiment were and test fish were exposed to 6.25 mg/L, 12.5 mg/L, 25 mg/L, 50 mg/L & 100 mg/L concentrations for 96 hours. The test substance was moderately soluble in water. Initially, stock solution was prepared by dissolving 1ml of the test substance in 1 liter of potable water (passed through reverse osmosis system) with 24 hrs of continuous stirring. From this stock solution, further test concentration was prepared for achieving test concentrations of 6.25 mg/L, 12.5 mg/L, 25 mg/L, 50 mg/L & 100 mg/L, respectively.  The median lethal concentration (LC50) for test chemical on Danio rerio in a 96 hours study on the basis of mortality effect was determine to be >12.5 mg/L. Thus, on the basis of this LC50 value and according to CLP criteria for aquatic classification of the substance, it is concluded that the substance, is classified under aquatic chronic 3 category and exhibits short term toxicity to fish. But as the chemical was readily biodegradable in water, thus on that basis, chemical consider to be nontoxic and not classified as per the CLP classification criteria.

Thus based on the overall studies and results, chemical consider to be nontoxic and not classified as per the CLP classification criteria.