N,N-diethyl-3-oxobutyramide

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:

other: Data is from computational model developed by USEPA

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:

ECOSAR estimates log Kow values using the US EPA's KOWWIN Program for aquatic toxicity.Toxicity of a chemical was measured on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program based upon the octanol /water partition coefficient (Kow). Data from ECOSAR class,neutral organics was used.The estimation methods in EPI Suite™ have been developed by government, academic, and private sector researchers over many years and represent some of the best techniques currently available. The intended application domain of EPI Suite is organic chemicals, and inorganic as well as organometallic chemicals generally can be considered outside the domain.

GLP compliance:

no

Specific details on test material used for the study:

- IUPAC Name: N,N-diethyl-3-oxobutyramide- InChI: 1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3- Smiles: N(C(CC(C)=O)=O)(CC)CC- Molecular formula :C8H15NO2- Molecular weight :157.212 g/mol- Substance type:Organic- Physical state:Pale yellow clear liquid

Test organisms (species):

other: Fish

Test type:

static

Water media type:

freshwater

Total exposure duration:

96 h

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

3 494 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Conclusions:

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.

Executive summary:

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.

Description of key information

Short term toxicity to fish:

Based on the QSAR predict ion 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.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Effect concentration:

3 494.475 mg/L

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