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EC number: 850-929-8 | CAS number: 1584-79-8
- 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:
- 15 November 2019 to 9 December 2019
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Version / remarks:
- 2015
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- 4-Methyl-N-[[[3-(trifluoromethyl)phenyl]amino]carbonyl] benzenesulfonamide
- EC Number:
- 850-929-8
- Cas Number:
- 1584-79-8
- Molecular formula:
- C15H13F3N2O3S
- IUPAC Name:
- 4-Methyl-N-[[[3-(trifluoromethyl)phenyl]amino]carbonyl] benzenesulfonamide
- Test material form:
- solid
Constituent 1
In chemico test system
- Details of test system:
- cysteine peptide, (Ac-RFAACAA-COOH)
- lysine peptide (Ac-RFAAKAACOOH)
- Details on the study design:
- 16.09 mg of the cysteine peptide was weighed, and 30.4 mL of 100 mM phosphate buffer (pH 7.5) was added to prepare 0.667 mM cysteine peptide standard stock solution. The 0.667 mM standard stock solutions were diluted with acetonitrile to prepare 0.534 mM standard solution. The 0.534 mM standard solution was serially diluted with the solution of phosphate buffer/acetonitrile (8/2 v/v) to prepare 0.267, 0.134, 0.0667, 0.0334 and 0.0167 mM standard solution.
16.96 mg of the lysine peptide was weighed, and 31.0 mL of 100 mM ammonium acetate buffer (pH 10.2) was added to prepare 0.667 mM lysine peptide standard stock solution. The 0.667 mM standard stock solution was diluted with acetonitrile to prepare 0.534 mM standard solution. The 0.534 mM standard solution was serially diluted with the solution of ammonium acetate buffer/acetonitrile (8/2 v/v) to prepare 0.267, 0.134, 0.0667, 0.0334 and 0.0167 mM standard solution.
Positive Control substance solution:
Cinnamaldehyde (26.27 mg for cysteine peptide; 24.65 mg for lysine peptide) was weighed and dissolved to 2 mL of acetonitrile to prepare 100 mM positive control substance solution.
Preparation of test substance solution:
On the experiment day, test substance (68.82 mg for cysteine peptide; 68.62 mg for lysine peptide) was weighed and dissolved to 2 mL of acetonitrile to prepare 100 mM test substance solution.
Creation of calibration curve
Standard solutions of each peptide and the solution of each buffer/acetonitrile (8/2 v/v) were analyzed according to the condition described in 14.2 and a calibration curve for each peptide was made by the concentration of standard solution and the peak area. The coefficients of determination (r2) of both cysteine peptide and lysine peptide were 1.000, which satisfied the acceptance criteria. The concentrations for each peptide described below were calculated by the calibration curves.
Verification of the suitability
For each peptide, 750 μL of the 0.667 mM standard stock solution was mixed with 250 μL of acetonitrile to prepare reference control A (n=3). Reference control A was analyzed. Consequently, the mean concentrations of
reference control A were 0.514 and 0.500 mM for cysteine peptide and lysine peptide, respectively, which satisfied the acceptance criteria.
Verification of retention time of test substance
Cysteine peptide:
To prepare co-elution control, 750 μL of the phosphate buffer was mixed with 200 μL of acetonitrile, and then mixed with 50 μL of the test substance solution prepared in the examination of the solvent. The co-elution control was left at 25°C for 24 hours, and then analyzed. Consequently, no peaks derived from the test substance were detected at the retention time of the peptide.
Lysine peptide
To prepare co-elution control, 750 μL of the ammonium acetate buffer was mixed with 250 μL of the lest substance solution prepared in the examination of the solvent. The coelution control was left at 25°C for 24 hours or more, and then analyzed. Consequently, no peaks derived from the test substance
were detected at the retention time of the peptide.
On the experiment day, 100mM test substance solution (68,82 mg for cysteine peptide and 68.62 mg for lysine peptide) was prepared. Peptide depletion was using HPLC. A calibration curve using the standard solutions for both peptides and suitability of the test method was verified with a reference control (A) for each peptide.
Preparation of reference control B and C, and each reaction solution
For each peptide, reference control B (n=6), reference control C (n=3), positive control reaction solution (n=3) and test substance reaction solution (n=3) were prepared and left at 25°C.
Preparation of reference control B
For each peptide, 750 μL of the 0.667 mM standard stock solution was mixed with 250 μL of acetonitrile to prepare reference control B.
Preparation of reference control C
For each peptide, 750 μL of the 0.667 mM standard stock solution was mixed with 250μL of acetonitrile to prepare reference control C.
Preparation of positive control reaction solution
1) Cysteine peptide
To prepare positive control reaction solution, 750 μL of the 0.667 mM standard stock solution was mixed with 200 μL of acetonitrile, and then mixed with 50 μL of the positive control substance solution.
2) Lysine peptide
To prepare positive control reaction solution, 750 μL of the 0.667 mM standard stock solution was mixed with 250 μL of the positive control substance solution.
Preparation of test substance reaction solution
1) Cysteine peptide
To prepare test substance reaction solution, 750 μL of the 0.667 mM standard stock solution was mixed with 200 μL of acetonitrile, and then mixed with 50 μL of the test substance solution.
Test substance reaction solution was visually inspected immediately after the preparation and 23 hours after the preparation. Consequently, no suspension or precipitation were observed.
2) Lysine peptide
To prepare test substance reaction solution, 750 μL of the 0.667 mM standard stock solution was mixed with 250 μL ofthe test substance solution.
Test substance reaction solution was visually inspected immediately a:fter the preparation and 23 hours after the preparation. Consequently, no suspension or precipitation were observed.
Analysis of reference control B and C, and each reaction solution
For each peptide, the reference control B and C, positive control reaction solution and test substance reaction solution were analyzed.
The analysis of the positive control reaction solution and test substance reaction solution was conducted 24 hours after the preparation or after.
Consequently, the coefficients of variation (CV) of the peak area of the reference control B and C were 1.9% and 0.3% for cysteine peptide and lysine peptide, respectively, which satisfied the acceptance criteria . The mean concentrations of the reference control C were 0.453 mM and 0.501 mM for cysteine peptide and lysine peptide, respectively, which satisfied the acceptance criteria. - Vehicle / solvent:
- acetonitrile
- Positive control:
- cinnamic aldehyde
Results and discussion
- Positive control results:
- Peptide depletion (percent cysteine peptide): 71.5 % (SD 0.4)
Peptide depletion (percent lysine peptide): 55.8 % (SD 0.7)
In vitro / in chemico
Resultsopen allclose all
- Key result
- Group:
- test chemical
- Run / experiment:
- run/experiment 2
- Parameter:
- mean lysine depletion
- Value:
- 0 %
- At concentration:
- 100 mM
- Positive controls validity:
- valid
- Key result
- Group:
- test chemical
- Run / experiment:
- run/experiment 1
- Parameter:
- mean cystein depletion
- Value:
- 2 %
- At concentration:
- 100 mM
- Positive controls validity:
- valid
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The mean value of the percent cystein and lysine depletion was 1.0% the reactivity class of the test substance was classified to "No or Minimal reactivity" and the skin sensitivity was predicted as "negative".
- Executive summary:
The mean value of the percent cystein and lysine depletion was 1.0% the reactivity class of the test substance was classified to "No or Minimal reactivity" and the skin sensitivity was predicted as "negative".
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