tert-butyl 3-oxobutanoate

Endpoint summary

Description of key information

Based on the available data for the target and structurally similar read across substances and applying the weight of evidence approach, it can be concluded that the target chemical will also tend to behave in a similar that of the read across substances. Therefore, tert-butyl 3-oxobutanoate was estimated to be not sensitizing to skin. Comparing the above annotations with the criteria of CLP regulation, tert-butyl 3-oxobutanoatecan be classified under the category “Not Classified”.

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

Endpoint:

skin sensitisation: in vivo (non-LLNA)

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:

other: weigth of evidence approach based on structurally similar chemicals

Justification for type of information:

Weight of evidence approach based on structurally similar chemicals

Reason / purpose for cross-reference:

read-across: supporting information

Reason / purpose for cross-reference:

read-across: supporting information

Reason / purpose for cross-reference:

read-across: supporting information

Qualifier:

according to guideline

Guideline:

other: Weight of evidence approach based on structurally similar chemicals

Principles of method if other than guideline:

The weight of evidence report has been prepared based on the read across substances identified based on structural and functional similarity to assess the dermal sensitization potential of tert-butyl 3-oxobutanoate

GLP compliance:

not specified

Type of study:

other: Weight of evidence approach based on structurally similar chemicals

Specific details on test material used for the study:

- Name of test material: tert-butyl 3-oxobutanoate- 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- Physical state: Liquid

Species:

other: humans, guinea pigs

Strain:

not specified

Sex:

not specified

Route:

epicutaneous, occlusive

Vehicle:

petrolatum

Concentration / amount:

8% in petrolatum

Day(s)/duration:

no data available

Adequacy of induction:

not specified

No.:

#1

Route:

epicutaneous, occlusive

Vehicle:

petrolatum

Concentration / amount:

8% in petrolatum

Adequacy of challenge:

not specified

No. of animals per dose:

1.252. 26

Details on study design:

The study is based on weight of evidence approach from the read across values

Challenge controls:

no data available

Reading:

1st reading

Group:

test chemical

Clinical observations:

no signs of sensitization observed

Remarks on result:

no indication of skin sensitisation

Interpretation of results:

other: not sensitizing

Conclusions:

Based on the available data for the target and structurally similar read across substances and applying the weight of evidence approach, it can be concluded that the target chemical will also tend to behave in a similar that of the read across substances. Therefore, tert-butyl 3-oxobutanoate was estimated to be not sensitizing to skin. Comparing the above annotations with the criteria of CLP regulation, tert-butyl 3-oxobutanoatecan be classified under the category “Not Classified”.

Executive summary:

Based on the available studies for the structurally similar read across chemicals, weight of evidence approach was applied to assess the dermal sensitization potential of tert-butyl 3-oxobutanoate.

Skin sensitization effects were estimated by four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra used within Danish QSAR database for tert-butyl 3-oxobutanoate. Based on estimation, no skin sensitization reactions were observed in guinea pigs and humans. Therefore, tert-butyl 3-oxobutanoate was considered to be not sensitizing.

Human maximization tests were carried out to assess the dermal sensitization potential of the 2 structurally similar chemical. The test chemicals 8% in petrolatum was applied to the skin of 25 and 26 human volunteers respectively. They were observed for signs of dermal sensitization (duration of exposure, observation period not specified). Both the structurally similar chemicals when tested 8% in petrolatum on the skin of 25, 26 human volunteers respectively did not induce any signs of sensitization. Hence, both of them can be considered to be not sensitizing to human skin.

Based on the available data for the target and structurally similar read across substances and applying the weight of evidence approach, it can be concluded that the target chemical will also tend to behave in a similar that of the read across substances. Therefore, tert-butyl 3-oxobutanoate was estimated to be not sensitizing to skin. Comparing the above annotations with the criteria of CLP regulation, tert-butyl 3-oxobutanoatecan be classified under the category “Not Classified”.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not sensitising)

Additional information:

Based on the available studies for the structurally similar read across chemicals, weight of evidence approach was applied to assess the dermal sensitization potential of tert-butyl 3-oxobutanoate.

Skin sensitization effects were estimated by four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra used within Danish QSAR database for tert-butyl 3-oxobutanoate. Based on estimation, no skin sensitization reactions were observed in guinea pigs and humans. Therefore, tert-butyl 3-oxobutanoate was considered to be not sensitizing.

Human maximization tests were carried out to assess the dermal sensitization potential of the 2 structurally similar chemical. The test chemicals 8% in petrolatum was applied to the skin of 25 and 26 human volunteers respectively. They were observed for signs of dermal sensitization (duration of exposure, observation period not specified). Both the structurally similar chemicals when tested 8% in petrolatum on the skin of 25, 26 human volunteers respectively did not induce any signs of sensitization. Hence, both of them can be considered to be not sensitizing to human skin.

Based on the available data for the target and structurally similar read across substances and applying the weight of evidence approach, it can be concluded that the target chemical will also tend to behave in a similar that of the read across substances. Therefore, tert-butyl 3-oxobutanoate was estimated to be not sensitizing to skin. Comparing the above annotations with the criteria of CLP regulation, tert-butyl 3-oxobutanoatecan be classified under the category “Not Classified”.

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

The results of the experimental studies from the structurally similar read across substances indicate a possibility that tert-butyl 3-oxobutanoate can be not sensitizing to skin.

Hence by applying the weight of evidence approach, tert-butyl 3-oxobutanoate can be considered to be not sensitizing to skin. It can be classified under the category “Not Classified” as per CLP regulation.