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EC number: 219-552-0 | CAS number: 2460-77-7
- 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
Skin sensitisation test by in chemico test method, Direct Peptide Reactivity Assay (DPRA) was carried out using the nucleophile containing synthetic cysteine and lysine peptides to evaluate the skin sensitisation potential of the test item 2,5-Di Tertiary Butyl 1,4-Benzoquinone (YAPOX2255) and classify them as skin sensitisers or non-skin sensitisers.
Cysteine and lysine peptide Percent Depletion Values are then calculated from peptide peak areas obtained from the HPLC analysis. The test item 2,5-Di Tertiary Butyl 1,4-Benzoquinone showed 19.56% mean cysteine peptide depletion and 0.0% mean lysine peptide depletion. Under the same circumstances positive control cinnamaldehyde showed 71.03% and 35.59% mean cysteine and lysine peptide depletion confirming the sensitivity of the assay. Based on the prediction model for classification Di Tertiary Butyl 1,4-Benzoquinone (YAPOX2255) was concluded as positive with low reactivity in the skin sensitisation assay by DPRA.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 16 Oct 2017-28 Feb 2018
- Reliability:
- 1 (reliable without restriction)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
- Justification for non-LLNA method:
- The correlation of protein reactivity with skin sensitization potential is well established. Haptenation i.e. the covalent biding of low molecular weight substances (“Haptens”) to proteins present in skin is considered a prominent mechanism through which chemicals or their metabolites become antigenic. Therefore, information inferred from the DPRA assay is relevant for assessment for skin sensitization potential of chemicals.
- Details on the study design:
- Solutions of test item and positive control prepared at 100 mM concentration were used in the sample preparation for analysis. Test solution, positive control and reference control was added to cysteine and lysine peptides and incubated in dark at 25°C for 24±2 hours. The test samples were then loaded in HPLC auto sampler to measure the peptide depletion. The test samples were then analysed by reversed-phase HPLC coupled
with UV detector for detection of peptides at 220nm. The HPLC column Zorbax SBC18 (2.1mm X100mm X 3.5 micron) was equilibrated at 30°C with 50% phase A (0.1% (v/v) trifluoroacetic acid in water) and 50% phase B (0.085% (v/v) trifluoroacetic acid in acetonitrile). Analysis was carried out at a flow rate of 0.35 mL/min, with sample injection volume range of 10 μL. A linear gradient from 10% to 25% Acetonitrile over 10 minutes, was used for separation, followed by a rapid increase to 90% acetonitrile to remove other materials. Cysteine and lysine peptide Percent Depletion Values were then calculated from peptide peak areas obtained from the HPLC analysis. - Positive control results:
- Positive control cinnamaldehyde showed 71.03% and 35.59% mean cysteine and lysine peptide depletion.
- Key result
- Parameter:
- other: cysteine peptide depletion %
- Value:
- 19.56
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Parameter:
- other: lysine peptide depletion %
- Value:
- 0
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- 2,5 Di Tertiary Butyl 1,4-Benzoquinone was concluded as positive with low reactivity in the skin sensitisation assay by Direct Peptide Reactivity Assay (DPRA)
- Executive summary:
Skin sensitisation test by in chemico test method, Direct Peptide Reactivity Assay (DPRA) was carried out using the nucleophile containing synthetic cysteine and lysine peptides to evaluate the skin sensitisation potential of the test item 2,5-Di Tertiary Butyl 1,4-Benzoquinone (YAPOX2255) and classify them as skin sensitisers or non-skin sensitisers.
Cysteine and lysine peptide Percent Depletion Values are then calculated from peptide peak areas obtained from the HPLC analysis. The test item 2,5-Di Tertiary Butyl 1,4-Benzoquinone showed 19.56% mean cysteine peptide depletion and 0.0% mean lysine peptide depletion. Under the same circumstances positive control cinnamaldehyde showed 71.03% and 35.59% mean cysteine and lysine peptide depletion confirming the sensitivity of the assay. Based on the prediction model for classification Di Tertiary Butyl 1,4-Benzoquinone (YAPOX2255)] was concluded as positive with low reactivity in the skin sensitisation assay by Direct Peptide Reactivity Assay (DPRA).
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
- Additional information:
Table 1. Prediction model for classification.
Mean cysteine and lysine % depletion Reactivity class DPRA prediction 0%≤mean % depletion ≤ 6.38% No or minimal activity Negative 6.38%≤mean % depletion ≤ 22.62% Low reactivity Positive 22.62%≤mean % depletion ≤ 42.47% Moderate reactivity Positive 42.47%≤mean % depletion ≤ 100% High reactivity Positive
Justification for classification or non-classification
Based on the prediction model for classification 2,5 Di Tertiary Butyl 1,4-Benzoquinone (YAPOX2255) is concluded as positive with low reactivity in the skin sensitisation assay by Direct Peptide Reactivity Assay (DPRA). The substance is classified for Skin Sens 1 according to the CLP Regulation No. 1272/2008.
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