N,N-diethyl-3-oxobutyramide

Endpoint summary

Description of key information

Short term toxicity to fish:

Based on the QSAR prediction done using the EPI Suite ECOSAR version 1.10, the 96 hours LC50 was estimated to be 3494.475 mg/l on fish for substance N,N-diethyl-3-oxobutyramide with mortality effects. Thus based on this value it can be concluded that the substance can not be classified for aquatic toxicity as per the criteria of CLP regulation.

Short-term toxicity to aquatic invertebrate:

Based on the prediction done 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, the LC 50 value for short term toxicity to aquatic invertebrates was predicted.

On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 1712.49 mg/l forN,N-diethyl-3-oxobutyramide (2235-46-3)in 48 hrs.Based on this value it can be concluded that the substance is considered to be not toxic aquatic environment and can not  be classified in aquatic toxicity category as per the criteria mentioned in CLP regulation.

Toxicity to aquatic algae and cyanobateria:

1.The short-term toxicity of the test substanceN,N-diethyl-3-oxobutyramide(CAS no.2235 -46 -3) to green algae is predicted using EPI Suite ECOSAR version 1.10. On the basis of effects observed in a static freshwater system during a 96 hr exposure, the effect concentration (EC50) for the substance is estimated to be 639 mg/L. Based on this value, it can be concluded that the test chemicalN,N-diethyl-3-oxobutyramidecan be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.

Toxicity to microorganism:

Data available for the structurally and functionally similar read across chemicals has been reviewed to determine the toxicity of microorganism of the test chemical N,N-diethyl-3-oxobutyramide (2235 -46 -3).The studies are as mentioned below:

1. Activated sludge respiration inhibition test was performed for the test material .activated sludge of a predominantly domestic sewage was subjected to the test for 30 min .15% increase in oxygen consumption was observed , No inhibition was observed .The effect concentration EC50 of test material after 30 min of inhibition test was observed to be >16000 mg/l.

2.In the cell multiplication inhibition test the effect of test material on microorganisms was studied for Pseudomonas putida. The toxicity threshold (TT = EC3) after a 16 h exposure period has been determined to be 67mg/l indicating only slight to moderate toxicity in this specific bacterial strain.

 

The test chemical is readily biodegradable , therefore it can be considered to be not toxic to aquatic environment.

 

Additional information

Short term toxicity to fish:

Data available for the predicted study of test matterial and structurally similar read across chemicals has been reviewed to determine the short term toxicity of fish of the test chemical N,N-diethyl-3-oxobutyramide The studies are as mentioned below:

1. Based on the QSAR prediction done using the EPI Suite ECOSAR version 1.10, the 96 hours LC50 was estimated to be 3494.475 mg/l on fish for substance N,N-diethyl-3-oxobutyramide with mortality effects. Thus based on this value it can be concluded that the substance can not be classified for aquatic toxicity as per the criteria of CLP regulation.

2.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 Danish (Q)SAR Database, the 96hours LC50 was estimated to be 642 mg/l on Pimephales promelas for substance N,N-diethyl-3-oxobutyramide with mortality effects. Thus based on this value it can be concluded that the substance can not be classified as toxic to aquatic enviroment as per the criteria of CLP regulation.

3.Short term toxicity of test material was evaluated for fish Pimephales promelas for 96 hrs in a flow through system .The effect concentration (LC50) was observed to be 141 mg/l after 96h.

4.Short term toxicity for fish Fathead minnow (Pimephales promelas) was performed according to OECD 203 and EEC.

 Juvenile fish of <90 days in age were utilized. Biological loading was kept below 1.0 g wet weight per liter of test solution, with 14 fish used per exposure level (2 replicates of7 fish).

 The tests were performed in glass chromatography jars containing 20 L of exposure solution.The analyzed mean percent loss of the test substance ranged from 12.7% to 19.5%.The 96-hour LC50 value for test substance was observed to be >977.74 mg/l.

Short-term toxicity to aquatic invertebrate:

Data available for the predicted study of test matterial and structurally similar read across chemicals has been reviewed to determine the short term toxicity of aquatic invertebrate of the test chemical N,N-diethyl-3-oxobutyramide The studies are as mentioned below:

1.Based on the prediction done 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, the LC 50 value for short term toxicity to aquatic invertebrates was predicted.

On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 1712.49 mg/l forN,N-diethyl-3-oxobutyramide (2235-46-3)in 48 hrs.Based on this value it can be concluded that the substance is considered to be not toxic aquatic environment and can not  be classified in aquatic toxicity category as per the criteria mentioned in CLP regulation.

2.Based on the average value of both models ( Leadscope Enterprise model and SciMatics SciQSAR model), the result were predicted in Battery model. Based on the Danish (Q)SAR Database, the 48 hours EC50 was estimated to be 119 mg/l on Daphnia Magna for substanceN,N-diethyl-3-oxobutyramidewith immobilization effects.Thus based on this value it can be concluded that the substance can not be classified for aquatic toxicity as per the criteria of CLP regulation.

3.Short term toxicity study was performed for the test chemical to evaluate its toxicity against Daphnia magna for 24 h .

24–h–old animals used; medium was chlorine free tap water, saturated with oxygenThe effect concentration EC50 for the test chemical after 24 h on daphnia magna was observed to be 100 mg/l

4.Short term toxicity for test material was evaluated on aquatic invertebrate daphnia magna .The test substance exposure concentration was based on the arithmetic average (for replicates A and B) of the geometric means of the test substance analytical results at exposure start (time 0) and the test substance analytical results at exposure end (48-hours).

 

The daphnids in the dilution water controls and test substance exposure solutions exhibited normal behavior and appearance throughout the test and no mortality was observed during the study.

Toxicity to aquatic algae and cyanobateria:

Data available for the predicted study of test matterial and structurally similar read across chemicals has been reviewed to determine the toxicity of aquatic algae and cyanobacteria of the test chemical N,N-diethyl-3-oxobutyramide The studies are as mentioned below:

1.The short-term toxicity of the test substanceN,N-diethyl-3-oxobutyramide(CAS no.2235 -46 -3) to green algae is predicted using EPI Suite ECOSAR version 1.10. On the basis of effects observed in a static freshwater system during a 96 hr exposure, the effect concentration (EC50) for the substance is estimated to be 639 mg/L. Based on this value, it can be concluded that the test chemicalN,N-diethyl-3-oxobutyramidecan be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.

2. Estimated 72 hrs EC50 value of test substanceN,N-diethyl-3-oxobutyramideon Pseudokirchneriella subcapitata was determined by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. The average EC50 value was given by the third model i.e, Battery model. Based on inhibition in growth rate of test organism Pseudokirchneriella subcapitata in a static freshwater system, the estimated 72 hrs EC50 value was predicted to be 187 mg/l. Thus, on the basis of EC50 value, it can be concluded that the test chemicalN,N-diethyl-3-oxobutyramidec an be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered not-classified per the CLP classification criteria.

 

 3.Static algae bioassay was performed for the test material on multispecies batch cultures of green algae (chlorococcales, mainly Scenedesmus sp.),The effect on O2-prodcution was observed for 24 h.The effect concentration of test material on green algae after 24 h was observed to be >300 mg/l.

4.Growth inhibition assay was performed for test material on green algae according to OECD Guideline 201.No effect o the growth effect was observed during and after 72 h studyThe effect concentration EC50 on green algae after 72 h was observed to be >1000 mg/l.

Toxicity to microorganism:

Data available for the structurally and functionally similar read across chemicals has been reviewed to determine the toxicity of microorganism of the test chemical N,N-diethyl-3-oxobutyramide (2235 -46 -3).The studies are as mentioned below:

1. Activated sludge respiration inhibition test was performed for the test material .activated sludge of a predominantly domestic sewage was subjected to the test for 30 min .15% increase in oxygen consumption was observed , No inhibition was observed .The effect concentration EC50 of test material after 30 min of inhibition test was observed to be >16000 mg/l.

2.In the cell multiplication inhibition test the effect of test material on microorganisms was studied for Pseudomonas putida. The toxicity threshold (TT = EC3) after a 16 h exposure period has been determined to be 67mg/l indicating only slight to moderate toxicity in this specific bacterial strain.

 

The test chemical is readily biodegradable , therefore it can be considered to be not toxic to aquatic environment.