tert-butyl 3-oxobutanoate

Endpoint summary

Description of key information

Acute oral Toxicity: 

The acute oral toxicity dose (LD50) for tert-butyl 3-oxobutanoate (1694-31-1) was based on data available for the structurally similar read across chemicals. The LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, tert-butyl 3-oxobutanoate (1694-31-1) cannot be classified for acute oral toxicity. 

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Endpoint:

acute toxicity: oral

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Remarks:

Experimental data of read across substances

Justification for type of information:

Data for the target chemical is summarized based on the structurally similar read across chemicals

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across source

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

WoE report is based on two acute oral toxicity studies as- 1.and 2. Acute Oral toxicity test was carried out to study the effects of the test chemicals on rodents

GLP compliance:

not specified

Test type:

other: not specified

Limit test:

no

Specific details on test material used for the study:

- Name of test material (IUPAC name): tert-butyl 3-oxobutanoate- Common name: tert-Butyl acetoacetate- Molecular formula: C8H14O3- Molecular weight:158.196 g/mol- Smiles notation: O(C(C)(C)C)C(CC(C)=O)=O- InChl: 1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3- Substance type: Organic

Species:

rat

Strain:

other: 1.Wistar 2. not specified

Sex:

male/female

Details on test animals or test system and environmental conditions:

1.Details on test animalTEST ANIMALS- Source: Ace Animals, Boyertown, PA- Age at study initiation: healthy male and healthy, non-pregnant and nulliparous female Wistar albino rats were taken. The animals were bom the weeks of 4/22 through 5/27/97.- Weight at study initiation: 265-296 grams : males 201-280 grams : females- Diet (e.g. ad libitum): Fresh Purina Rat Chow (Diet #5012) was freely available except for 16-20 hours prior to dosing- Water (e.g. ad libitum): Water was freely available at all times.- Acclimation period: a quarantine period of at least one weekENVIRONMENTAL CONDITIONS- Photoperiod (hrs dark / hrs light): 12 hour light/dark cycleIN-LIFE DATES: From: 07/18/97 To: 08/01/972.not specified

Route of administration:

other: 1.oral: gavage 2.oral: unspecified

Vehicle:

not specified

Details on oral exposure:

no data

Doses:

1. 2000,5000,7000 mg/kg bw2.3930 mg/kg bw

No. of animals per sex per dose:

1.Total:30 rats2000 mg/kg bw: 5 male and 5 female5000 mg/kg bw: 5 male and 5 female7000 mg/kg bw: 5 male and 5 female

Control animals:

not specified

Details on study design:

1.Details on study design:- Duration of observation period following administration: 14 days- Frequency of observations and weighing: In Vivo - Animals were observed 1, 2 and 4 hours postdose and once daily for 14 days for toxicity and pharmacological effects. The animals were observed twice daily for mortality. Body weights were recorded immediately pretest, weekly, at death and at termination in the survivors.Post Mortem - All animals were examined for gross pathology. Abnormal tissues were preserved in 10%buffered formalin for possible future microscopic examination.- Necropsy of survivors performed: yes- Other examinations performed: clinical signs, body weight,organ weights, histopathology2.not specified

Statistics:

1.The LD50 and 95% Confidence Limits were calculated by the method of Litchfield J.T. Jr., &F. Wilcoxon JPET96:99.2.not specified

Preliminary study:

1.Five healthy male and five healthy female Wistar albino rats were dosed orally with tert-butyl acetate at 5000 mg/kg of body weight. Since mortality occurred at this level, additional groups were dosed at 2000,5000 and 7000 mg/kg bw.2.not specified

Sex:

male

Dose descriptor:

LD50

Effect level:

4 100 mg/kg bw

Based on:

test mat.

95% CL:

3 185 - 5 277

Remarks on result:

other: 50% mortality was observed

Sex:

female

Dose descriptor:

LD50

Effect level:

4 750 mg/kg bw

Based on:

test mat.

95% CL:

3 848 - 5 864

Remarks on result:

other: 50% mortality was observed

Sex:

male/female

Dose descriptor:

LD50

Effect level:

4 500 mg/kg bw

Based on:

test mat.

95% CL:

3 783 - 5 353

Remarks on result:

other: 50% mortality was observed

Sex:

not specified

Dose descriptor:

LD50

Effect level:

3 890 mg/kg bw

Based on:

test mat.

Remarks on result:

other: 50% mortality was observed

Mortality:

1.50% mortality was observed 2.50% mortality was observed at dose 3980 mg/kg bw

Clinical signs:

other: 1.Predeath physical signs included ataxia, flaccid muscle tone, lethargy, dyspnea, loss of righting reflex, prostration, piloerection, tremors and coma. Physical signs in the surviving animals of the 2000 and 5000 mg/kg groups included ataxia, flaccid mus

Gross pathology:

1.Necropsy findings in the animals which died during the study included abnormalities of the lungs, spleen, kidneys, liver, stomach, intestines, as well as wetness and red & brown staining of the nose/mouth area. Necropsy findings in the animals which survived the study were normal.2.not specified

Other findings:

no data

Interpretation of results:

other: not classified

Conclusions:

According to CLP regulation, the test chemical tert-butyl 3-oxobutanoate (1694-31-1) cannot be classified for acute oral toxicity, as the LD50 value is >2000 mg/kg bw.

Executive summary:

Data available for the structurally similar read across chemicals has been reviewed to determine the acute oral toxicity of the test chemical tert-butyl 3-oxobutanoate (1694-31-1).The studies are as mentioned below:

1.Acute oral toxicity study was performed in male and female wistar albino rats using testchemicalvia gavage according to Health Effects Testing Guidelines, 40 CFR Part 798.1175.50% mortality was observed at dose4100 mg/kg bw in males,4750 mg/kg bw in females and 4500 mg/kg bw for both sex.Predeath physical signs included ataxia, flaccid muscle tone, lethargy, dyspnea, loss of righting reflex, prostration, piloerection, tremors and coma. Physical signs in the surviving animals of the 2000 and 5000 mg/kg groups included ataxia, flaccid muscle tone, lethargy, bloated abdomen, piloerection, chromorhinorrhea and assumption of a prostrate position. Body weight changes in the surviving animals in the 2000 and 5000 mg/kg groups were normal. Necropsy findings in the animals which died during the study included abnormalities of the lungs, spleen, kidneys, liver, stomach, intestines, as well as wetness and red & brown staining of the nose/mouth area. Necropsy findings in the animals which survived the study were normal.Hence,LD50 value was considered to be 4100;4750 and 4500 mg/kg bw,when rats were treated with test chemicalorally via gavage.

2.Acute oral toxicity study was performed in rats using test chemical.50% mortality was observed at dose 3980 mg/kg bw. Hence,LD50 value was considered to be 3980 mg/kg bw,when rats were treated with test chemical orally.

Thus, based on the above summarised studies, tert-butyl 3-oxobutanoate (1694-31-1) and it’s structurally similar read across substance, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, tert-butyl 3-oxobutanoate (1694-31-1) cannot be classified for acute oral toxicity.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

3 980 mg/kg bw

Quality of whole database:

Data is Klimisch 2 and from authoritative database

Acute toxicity: via inhalation route

Endpoint conclusion

Endpoint conclusion:

no study available

Acute toxicity: via dermal route

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information

Acute oral Toxicity: 

Data available for the structurally similar read across chemicals has been reviewed to determine the acute oral toxicity of the test chemical tert-butyl 3-oxobutanoate (1694-31-1).The studies are as mentioned below:

1.Acute oral toxicity study was performed in male and female wistar albino rats using testchemicalvia gavage according to Health Effects Testing Guidelines, 40 CFR Part 798.1175.50% mortality was observed at dose4100 mg/kg bw in males,4750 mg/kg bw in females and 4500 mg/kg bw for both sex.Predeath physical signs included ataxia, flaccid muscle tone, lethargy, dyspnea, loss of righting reflex, prostration, piloerection, tremors and coma. Physical signs in the surviving animals of the 2000 and 5000 mg/kg groups included ataxia, flaccid muscle tone, lethargy, bloated abdomen, piloerection, chromorhinorrhea and assumption of a prostrate position. Body weight changes in the surviving animals in the 2000 and 5000 mg/kg groups were normal. Necropsy findings in the animals which died during the study included abnormalities of the lungs, spleen, kidneys, liver, stomach, intestines, as well as wetness and red & brown staining of the nose/mouth area. Necropsy findings in the animals which survived the study were normal.Hence,LD50 value was considered to be 4100;4750 and 4500 mg/kg bw,when rats were treated with test chemicalorally via gavage.

2.Acute oral toxicity study was performed in rats using test chemical.50% mortality was observed at dose 3980 mg/kg bw. Hence,LD50 value was considered to be 3980 mg/kg bw,when rats were treated with test chemical orally.

Thus, based on the above summarised studies, tert-butyl 3-oxobutanoate (1694-31-1) and it’s structurally similar read across substance, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, tert-butyl 3-oxobutanoate (1694-31-1) cannot be classified for acute oral toxicity.

Justification for classification or non-classification

Based on the above experimental studies on tert-butyl 3-oxobutanoate (1694-31-1)and it’sstructurallysimilar read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, tert-butyl 3-oxobutanoate (1694-31-1)cannot be classified for acute oral toxicity.