tert-butyl 3-oxobutanoate

Endpoint summary

Description of key information

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 EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 2042mg/l for tert-butyl 3-oxobutanoate (1694-31-1) in 48 hrs. Based on this value it can be concluded that the substance is considered to be not toxic to aquatic environment and can not be classified in aquatic  category as per the criteria mentioned in CLP regulation.

Toxicity to aquatic algae and cyanobacteria:

The short-term toxicity of the test substancetert-butyl 3-oxobutanoate(CAS no.1694 -31 -1) 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 459 mg/L. Based on this value, it can be concluded that the test chemicaltert-butyl 3-oxobutanoatecan be considered asnon-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.

 

Additional information

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 fish of the test chemical tert-butyl 3-oxobutanoate. 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 EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 2042mg/l for tert-butyl 3-oxobutanoate (1694-31-1) in 48 hrs. Based on this value it can be concluded that the substance is considered to be not toxic to aquatic environment and can not be classified in aquatic  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 QSAR prediction done using the Danish (Q)SAR Database, the 48 hours EC50 was estimated to be 454.8 mg/l on Daphnia Magna for substance  tert-butyl 3-oxobutanoate with immobilization effects. Thus based on this value it can be concluded that the substance can not  be classified 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.

Based on these value it can be concluded that the substance is considered to be not toxic to aquatic environment and can not be classified in aquatic  category as per the criteria mentioned in CLP regulation.

Toxicity to aquatic algae and cyanobacteria:

Data available for the predicted study of test matterial and structurally similar read across chemicals has been reviewed to determine the toxicity of aquatic invertebrate of the test chemical tert-butyl 3-oxobutanoate. The studies are as mentioned below:

1.The short-term toxicity of the test substancetert-butyl 3-oxobutanoate(CAS no.1694 -31 -1) 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 459 mg/L. Based on this value, it can be concluded that the test chemicaltert-butyl 3-oxobutanoatecan be considered asnon-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 substance 241 mg/l on 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 241mg/l. Thus, on the basis of EC50 value, it can be concluded that the test chemicaltert-butyl 3-oxobutanoate can be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as 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.

Based on these value it can be concluded that the substance is considered to be not toxic to aquatic environment and can not be classified in aquatic  category as per the criteria mentioned in CLP regulation.