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EC number: 216-904-5 | CAS number: 1694-31-1
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
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
- 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”.
Reference
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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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