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EC number: 202-612-5 | CAS number: 97-85-8
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2017-2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Deviations:
- no
- GLP compliance:
- yes
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- Isobutyl isobutyrate
- EC Number:
- 202-612-5
- EC Name:
- Isobutyl isobutyrate
- Cas Number:
- 97-85-8
- Molecular formula:
- C8H16O2
- IUPAC Name:
- 2-methylpropyl 2-methylpropanoate
Constituent 1
- Specific details on test material used for the study:
- Sponsor’s identification Eastman IBIB
CAS No: 97-85-8
Batch No. XK16016428
Purity 98.7%
Molecular weight :144.21 g/mol
Appearance: Colorless liquid
Expiry/retest date: 09 February 2019 (2 years from receipt)
Storage conditions: Ambient temperature in the dark (15-25°C)
In chemico test system
- Details on the study design:
- Preparation of Positive Control and Cysteine Peptide Depletion Samples and Co-elution Controls
Acetonitrile solutions of Eastman IBIB and solutions of the positive control were diluted with the Cysteine peptide to prepare solutions containing 0.5 mM Cysteine and 5 mM of either Eastman IBIB or the positive control. For the co-elution control, buffer solution was used in place of the Cysteine stock solution.
Preparation of Positive Control and Lysine Peptide Depletion Samples and Co-elution Controls
Acetonitrile solutions of Eastman IBIB and solutions of the positive control were diluted with the Lysine peptide to prepare solutions containing 0.5 mM Lysine and 25 mM of either Eastman IBIB or the positive control. For the co-elution control, buffer solution was used in place of the Lysine stock solution.
Incubation
The appearance of the Eastman IBIB and positive control samples in the HPLC vials was documented after preparation and then the vials placed into the autosampler of the HPLC set at 25°C for a minimum of 22 hours incubation prior to initiation of the analysis run. Prior to initiation of the run the appearance of the samples in the vials was assessed and documented again.
Analysis
The concentration of both the Cysteine and Lysine peptides in the presence of Eastman IBIB and the associated positive controls was quantified by HPLC using UV detection as detailed in the chromatographic section.
Calculations
The peak area response for the peptide in each calibration chromatogram was measured
Results and discussion
- Positive control results:
- The mean depletion for psotive control in percentage was 72.3.
In vitro / in chemico
Resultsopen allclose all
- Parameter:
- other: peptide depletion
- Remarks:
- Cysteine peptide depletion (%)
- Value:
- 1.2
- Vehicle controls validity:
- not examined
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks:
- Cinnamic Aldehyde
- Parameter:
- other: peptide depletion
- Remarks:
- peptide depletion (%)
- Value:
- 0.73
- Vehicle controls validity:
- not examined
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks:
- Cinnamic acid
Applicant's summary and conclusion
- Interpretation of results:
- other: Not classified
- Remarks:
- Not classified
- Conclusions:
- The overall mean result of 0.968% depletion places Eastman Isobutyl isobutyrate in the reactivity class of “no to minimal” and hence it is predicted by DPRA to be a non skin sensitizer.
- Executive summary:
In chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA), following OECD TG 442C was conducted to assess the reactivity and sensitizing potential of Eastman isobutyl isobutyrate. Solutions of IBIB were successfully analysed by the validated DPRA analytical method in both Cysteine and Lysine containing synthetic peptides. The overall result of 0.968% depletion places Eastman IBIB in the reactivity class of “no to minimal” and therefore it is predicted by DPRA to be a non-skin sensitizer.
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