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EC number: 204-133-7 | CAS number: 116-26-7
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- From February 06, 2019 to March 15, 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
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))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- 2,3-dihydro-2,2,6-trimethylbenzaldehyde
- EC Number:
- 204-133-7
- EC Name:
- 2,3-dihydro-2,2,6-trimethylbenzaldehyde
- Cas Number:
- 116-26-7
- Molecular formula:
- C10H14O
- IUPAC Name:
- 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
- Test material form:
- liquid
Constituent 1
In chemico test system
- Details on the study design:
- Preparation if test solution: Accurately weighed 150.20 mg of Safranal in 10.0 mL volumetric flask, and dissolved in Acetonitrile : Milli Q water (1:1 v/v) and volume was made up to 10 mL with Acetonitrile: Milli Q water ( 1:1 v/v).
Accurately weighed 150.19 mg of Safranal in 10.0 mL volumetric flask, and dissolved in Acetonitrilc : Milli Q water (1:1 v/v) and volume was made up to 10 mL with Acelonitrile : Milli Q water (1:1 v/v).
Preparation of standard solutions: - Cysteine peptide: 0.669 mM stock solutions of cysteine peptide were prepared by diluting 2.51 mg of cysteine peptide with 5.0 mL of Sodium phosphate buffer of pH 7.5.
- Lysine peptide: 0.668 mM stock solutions of lysine peptide was prepared by diluting 2.59 mg of lysine peptide with 5.0 mL of 100 mM ammonium acetate buffer pH 10.2.
Peptide and test item (1:10 Dilution)
- Cysteine Peptide: a volume of 375µL of cysteine stock solution, 400 µL of phosphate bufler pH 7.5, 25 µLof sample stock solution and 200 µL of acetonitrile were added to HPLC vial.
- Lysine Peptide: a volume of 375µL of lysine stock solution, 400 µL of ammonium acetate bufler pH 10.2, 25 µLof sample stock solution and 200 µL of acetonitrile were added to HPLC vial.
Peptide and test item (1:50 Dilution)
- Cysteine Peptide: a volume of 375µL of cysteine stock solution, 300 µL of phosphate bufler pH 7.5, 125 µLof sample stock solution and 200 µL of acetonitrile were added to HPLC vial.
- Lysine Peptide: a volume of 375µL of lysine stock solution, 300 µL of ammonium acetate bufler pH 10.2, 125 µLof sample stock solution and 200 µL of acetonitrile were added to HPLC vial.
HPLC vials were gently vortexed and incubated for 24 hours at 25°C ± 2.5°C in the (dark) prior to HPLC analysis. Preparation was done in triplicates and single HPLC run was performed for each preparation.
Preparation of Control: A volume of 375 µL of cysteine stock solution, 425 µL phosphate buffer pH 7.5 and 200 µL of acetonitrile were added to HPLC vial.
A volume of 375 µL of lysine stock solution, 425 µL ammonium acetate buffer pH 10.2 and 200 µL of acetonitrile were added lo HPLC vial.
HPLC vials will be gently vortexed and incubated for 24 hours at 25°C ± 2.5°C in the dark place prior to HPLC analysis. Preparation was done in triplicates and single HPLC run will be performed for each preparation.
Prepation of Linearity Standards for Cysteine Peptide:
• A volume of 25 µL of cysteine stock solution, 925 µL phosphate buffer pH 7.5 and 50 µL of acetonitrile were added to HPLC vial (0.0167 mM).
• A volume of 50 µL of cysteine stock solution, 900 µL phosphate buffer pH 7.5 and 50 µL of acetonitrile were added to HPLC vial (0.0334 mM).
• A volume of 100 µL of cysteine stock solution, 850 µL phosphate buffer pH 7.5 and 50 µL of acetonitrile were added to HPLC via l (0.0669 mM).
• A volume of 200 µL of cysteine stock solution, 750 µL phosphate buffer pH 7.5 and 50 µL of acetonitrile were added to HPLC vial (0. 1337 mM).
• A volume of 200 µL of cysteine stock solution, 275 µL phosphate buffer pH 7.5 and 25 µL of acetonitrile were added to HPLC vial (0.2674mM).
• A volume of 400 µL of cysleine stock solution, 75 µL phosphate buffer pH 7.5 and 25 µL of acetonitrile were added to HPLC vial (0.5348 mM).
Each standard was injected and a linearity curve was prepared using regression analysis.The correlation coefficient, slope and intercept were calculated.
Prepara tion or Linearity Standard for Lysine Peptide
• A volume of 25 µL of lysine stock solution, 925 µL ammonium acetate buff'er pH 10.2 and 50 µL of acetonitrile were added to HPLC vial (0.0 167 mM).
• A volume of 50 µL of lysine slock solution, 900 µL ammonium acetate buffer pH 10.2 and 50 µL of acetonitrile were added to HPLC vial (0.0334mM).
• A volume of 100 µL of lysine stock solution, 850 µL ammonium acetate buffer pH 10. 2 and 50 µL of acetonitrile were added to HPLC vial (0.0668 mM).
• A volume of 200 µL of lysine stock solution, 750 µL ammonium acetate buffer pH 10.2 and 50µL of acetonitrie were added to HPLC vial (0.1355 mM).
• A volume of 200 µL of lysine stock solution, 275 µL ammonium acetate buffer pH 10.2 and 25 µL of acetonitrile were added to HPLC vial (0.2670 mM).
• A volume of 400 µL of lysine stock solution, 50 µL ammonium acetate buffer pH 10.2 and 25 µL of acetonitrile were added to HPLC vial (0.5341 mM ).
Each standar was injected and a linearity curve was prepared using regression analysis. The correlation coefficient, slope and intercept were calculated.
Analysis: All prepared samples were loaded to HPLC sequence and chromatograms were determined at 220 run. Peptide reactivity with the test item was reported as percent peptide depletion, which was determined as the reductionof the peptide concentration in the samples relative to the average concentration of the controls.
Results and discussion
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: Cysteine (1:10)
- Parameter:
- other: Mean of Cysteine depletion
- Value:
- 90.63
- Vehicle controls validity:
- not examined
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Key result
- Run / experiment:
- other: Lysine (1:50)
- Parameter:
- other: Mean of Lysine depletion
- Value:
- 20.81
- Vehicle controls validity:
- not examined
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Other effects / acceptance of results:
- The mean value of the percent cysteine and lysine depletion was calculated for the test item. From the mean value of the percent cysteine and lysine depletion, the reactivity class was classified and the skin sensitivity was predicted.
Any other information on results incl. tables
Evaluation Method:
Mean of Cysteine and Lysine depletion | Reactivity Class | Prediction |
0% < Mean % Depletion < 6.38% | Minimal Reactivity Non- Sensitiser | Negative |
6.38% < Mean % Depletion < 22.62% | Low Reactivity Sensitiser | Positive |
22.62% < Mean % Depletion < 42.47% | Moderate Reactivity Sensitiser | |
42.47%< Mean % Deplet ion < 100 % | High Reactivity Sensitiser |
Results:
Particulars | Sample Code | Sample Peak Area (mAU) | Mean Sample Peak Area (mAU) | Percent Peptide Depletion | Mean Percent Peptide Depletion |
Cysteine (1:10) | Control R1 | 1144.19 | 12 16.98 | - | - |
Control R2 | 1260.77 | ||||
Control R3 | 1245.99 | ||||
Sample Rl | 119.62 | - | 90.17 | 90.63 | |
Sample R2 | 108.2 2 | 91.11 | |||
Sample R3 | I14.21 | 90.62 | |||
Lysine (1:50) | Control R1 | 680.48 | 704.435 | - | - |
Control R2 | 724.98 | ||||
Control R3 | 707.85 | ||||
Sample RI | 544.9 | - | 22.65 | 20.81 | |
Sample R2 | 553.78 | 21.39 | |||
Sample R3 | 574.76 | 18.41 | |||
Average Percent Depiction |
55.72 | ||||
Prediction |
High Reactivitv |
Applicant's summary and conclusion
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- The percent peptide depletion was 90.63% for cysteine peptide solution and 20.81% for lysine peptide solution. The mean value of the percent cysteine ad lysine depletion was 55.72%. Therefore, the reactivity class of test item was classified to " High Reactivity Sensitizer" and skin sensitivity was predicted as " Positive" in these testing conditions.
- Executive summary:
The objective of the study was to screen the test item Safranal for skin sensitizing potential by direct peptide reactivity assay (DPRA).
The test item dissolved in acetonitrile was mixed with cysteine peptide solution (1:10) and lysine peptide solution (1:50) respectively, was incubated at25±2.5°C for 24 hours. After 24hours of incubation the reaction solutions were analysed by high performance liquid chromatography and peak area for each peptide was determined. Percent cysteine and percent lysine peptide depletion, and the average value of the percent peptide depletions were calculated.
Consequently, the percent peptide depletion was 90.63% for cysteine peptide solution (1:10) and 20.81% for lysine peptide solution (1:50). The mean value of the percent cysteine and lysine depletion was 55.72%.Therefore,the reactivity class of test item was classified to" High Reactivity sensitizer"and skin sensitivity was predicted as "Positive".
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