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EC number: 209-513-6 | CAS number: 583-60-8
- 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
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Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Study Initiation Date: 21 March 2019
Experimental Starting Date: 16 April 2019
Experimental Completion Date: 03 May 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 442D (In Vitro Skin Sensitisation: ARE-Nrf2 luciferase KeratinoSens™ test method)
- Version / remarks:
- Final
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- ARE-Nrf2 luciferase KeratinoSens™ test method
Test material
- Reference substance name:
- 2-methylcyclohexanone
- EC Number:
- 209-513-6
- EC Name:
- 2-methylcyclohexanone
- Cas Number:
- 583-60-8
- Molecular formula:
- C7H12O
- IUPAC Name:
- 2-methylcyclohexan-1-one
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- water
- Reference substance name:
- Unknown impurities
- Molecular formula:
- not applicable
- IUPAC Name:
- Unknown impurities
- Test material form:
- liquid
- Details on test material:
- Batch No.: 01246M0002, purity confirmed by analytical certificate
Constituent 1
impurity 1
impurity 2
- Specific details on test material used for the study:
- In the present study 2-MCH was dissolved in DMSO. Based on a molecular weight of 112.17 g/mol a stock solution of 200 mM was prepared.
Based on the stock solution a set of twelve master solutions in 100% solvent was prepared by serial dilution using a constant dilution factor of 1:2. These master solutions were diluted 1:100 in cell culture medium. The following concentration range was tested in the assay:
2000, 1000, 500, 250, 125, 62.5, 31.25, 15.63, 7.81, 3.91, 1.95, 0.98 µM
In vitro test system
- Details of test system:
- Keratinoses transgenic cell line [442D]
- Vehicle / solvent control:
- DMSO
- Negative control:
- other: DMSO (AppliChem; Lot No.: 0001603375) at a final concentration of 1% (v/v) in test item exposure medium was used as negative control.
- Positive control:
- cinnamic aldehyde [442D]
Results and discussion
In vitro / in chemico
Results
- Key result
- Group:
- test chemical
- Run / experiment:
- mean
- Parameter:
- Imax [442D]
- Value:
- 1.08
- Cell viability:
- Threshold validity of 70% cell viability/.
Cell viability Mean of 2 experiments - at least 92% - Vehicle controls validity:
- valid
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Other effects / acceptance of results:
- Acceptance Criteria
The test meets acceptance criteria if:
- the luciferase activity induction of the positive control is statistically significant above the threshold of 1.5 (using a t-test) in at least one of the tested concentrations
- the average induction in the three technical replicates for the positive control at a concentration of 64 µM is between 2 and 8
- the EC1.5 value of the positive control is within two standard deviations of the historical mean
- the average coefficient of variation (CV; consisting of 6 wells) of the luminescence reading for the negative (solvent) control DMSO is <20% in each repetition.
Any other information on results incl. tables
Cytotoxicity
Table 1: Results of the Cytotoxicity Measurement
| Concentration [µM] | Cell Viability [%] | |||
Experiment 1 | Experiment 2 | Mean | SD | ||
Solvent Control | - | 100 | 100 | 100 | 0.0 |
Positive Control | 4.00 8.00 16.00 32.00 64.00 | 97.2 102.5 101.1 102.4 81.6 | 99.1 98.7 97.0 90.8 101.4 | 98.1 100.6 99.1 96.6 91.5 | 1.3 2.7 2.9 8.2 14.0 |
Test Item | 0.98 1.95 3.91 7.81 15.63 31.25 62.50 125.00 250.00 500.00 1000.00 2000.00 | 84.3 108.8 106.4 101.6 108.4 111.3 109.2 114.2 109.4 115.2 108.8 90.3 | 99.6 100.9 93.1 99.7 86.2 88.5 90.1 91.1 83.1 93.9 95.6 93.6 | 92.0 104.9 99.7 100.7 97.3 99.9 99.6 102.6 96.2 104.5 102.2 92.0 | 10.8 5.6 9.4 1.4 15.8 16.1 13.5 16.3 18.6 15.1 9.3 2.4 |
Luciferase Activity Experiment 1
Table 2: Induction of Luciferase Activity Experiment 1
Experiment 1 | Concentration [µM] | Cell Viability [%] |
| Significance | |||
Rep. 1 | Rep. 2 | Rep. 3 | Mean | SD | |||
Solvent Control | - | 1.00 | 1.00 | 1.00 | 1.00 | 0.00 |
|
Positive Control | 4.00 8.00 16.00 32.00 64.00 | 1.22 1.58 1.40 2.34 5.75 | 1.02 1.12 1.59 2.38 7.73 | 0.99 0.91 1.35 1.86 4.57 | 1.08 1.21 1.45 2.20 6.01 | 0.13 0.34 0.13 0.29 1.60 |
* * |
Test Item | 0.98 1.95 3.91 7.81 15.63 31.25 62.50 125.00 250.00 500.00 1000.00 2000.00 | 0.91 0.85 1.04 0.92 0.99 0.85 0.93 1.02 0.96 1.06 1.02 1.15 | 0.71 0.87 0.82 0.75 0.80 0.87 0.81 0.77 0.58 0.81 0.78 0.70 | 0.70 0.80 0.84 0.72 0.87 0.82 0.74 0.82 0.88 0.77 0.82 0.68 | 0.78 0.84 0.90 0.80 0.88 0.85 0.83 0.87 0.81 0.88 0.87 0.84 | 0.12 0.04 0.12 0.11 0.10 0.02 0.10 0.13 0.20 0.15 0.13 0.27 |
|
* = significant induction according to Student’s t-test, p<0.05
See Figure 1: Evaluation of the KeratinoSens™ experiment 1 attached as a picture.
Luciferase Activity Experiment 2
Table 3: Induction of Luciferase Activity Experiment 2
Experiment 2 | Concentration [µM] | Cell Viability [%] |
| Significance | |||
Rep. 1 | Rep. 2 | Rep. 3 | Mean | SD | |||
Solvent Control | - | 1.00 | 1.00 | 1.00 | 1.00 | 0.00 |
|
Positive Control | 4.00 8.00 16.00 32.00 64.00 | 1.11 1.17 1.58 2.05 4.85 | 1.41 1.59 1.58 2.33 4.51 | 1.14 1.24 1.64 2.01 5.35 | 1.22 1.34 1.60 2.13 4.90 | 0.17 0.23 0.04 0.17 0.42 |
* * * |
Test Item | 0.98 1.95 3.91 7.81 15.63 31.25 62.50 125.00 250.00 500.00 1000.00 2000.00 | 1.02 1.04 0.93 0.89 0.91 1.02 1.00 0.98 1.00 1.04 1.02 1.07 | 1.03 0.93 0.95 1.01 0.91 0.98 0.97 0.94 1.31 1.03 1.13 1.09 | 1.01 1.08 1.16 0.96 0.93 1.00 1.07 1.11 1.23 1.18 1.61 1.21 | 1.02 1.02 1.01 0.95 0.92 1.00 1.01 1.01 1.18 1.08 1.25 1.12 | 0.01 0.08 0.13 0.06 0.01 0.02 0.05 0.08 0.16 0.08 0.31 0.07 |
|
* = significant induction according to Student’s t-test, p<0.05
See Figure 2: Evaluation of the KeratinoSens™ experiment 2 attached as a picture.
Luciferase Activity - Overall Induction
Table 4: Induction of Luciferase Activity – Overall Induction
| Concentration [µM] | Fold Induction | |||
Experiment 1 | Experiment 2 | Mean | SD | ||
Solvent Control | - | 1.00 | 1.00 | 1.00 | 0.00 |
Positive Control | 4.00 8.00 16.00 32.00 64.00 | 1.08 1.21 1.45 2.20 6.01 | 1.22 1.34 1.60 2.13 4.90 | 1.15 1.27 1.52 2.16 5.46 | 0.10 0.09 0.11 0.05 0.79 |
Test Item | 0.98 1.95 3.91 7.81 15.63 31.25 62.50 125.00 250.00 500.00 1000.00 2000.00 | 0.78 0.84 0.90 0.80 0.88 0.85 0.83 0.87 0.81 0.88 0.87 0.84 | 1.02 1.02 1.01 0.95 0.92 1.00 1.01 1.01 1.18 1.08 1.25 1.12 | 0.90 0.93 0.96 0.88 0.90 0.92 0.92 0.94 1.00 0.98 1.06 0.98 | 0.17 0.12 0.08 0.11 0.02 0.11 0.13 0.10 0.26 0.14 0.27 0.20 |
See Figure 3: Overall Evaluation of the KeratinoSens™ Assay attached as a picture.
Additional Parameters
Table 5: Additional Parameters
Parameter | Experiment 1 | Experiment 2 | Mean | SD |
EC1.5 [µM] | n.a. | n.a. | n.a. | n.a. |
Imax | 0.90 | 1.25 | 1.08 | 0.25 |
IC30 [µM] | n.a. | n.a. | n.a. | n.a. |
IC50 [µM] | n.a. | n.a. | n.a. | n.a. |
Acceptance Criteria
Table 6: Acceptance Criteria
Criterion | Range | Experiment 1 | pass/fail | Experiment 2 | pass/fail |
CV Solvent Control | < 20% | 13.8 | pass | 17.3 | pass |
No. of positive control concentration steps with significant luciferase activity induction >1.5 | ≥ 1 | 2.0 | pass | 3.0 | pass |
EC1.5 PC | ± 2 x SD of historical mean | 17.10 | pass | 12.94 | pass |
Induction PC at 64 µM | 2 .00 < x < 8.00 | 6.01 | pass | 4.90 | pass |
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- In this study under the given conditions the test item did not induce the luciferase activity in the
transgenic KeratinoSens™ cell line in at least two independent experiment runs. Therefore, the test
item can be considered as non-sensitiser. - Executive summary:
The in vitro KeratinoSens™ assay enables detection of the sensitising potential of a test item by addressing the second molecular key event of the adverse outcome pathway (AOP), namely activation of keratinocytes, by quantifying the luciferase activity in the transgenic cell line KeratinoSens™. The luciferase activity, assessed by luminescence measurement, compared to the respective solvent controls is used to support discrimination between skin sensitisers and non-sensitisers.
In the present study 2-MCH was dissolved in DMSO. Based on a molecular weight of 112.17 g/mol a stock solution of 200 mM was prepared.
Based on the stock solution a set of twelve master solutions in 100% solvent was prepared by serial dilution using a constant dilution factor of 1:2. These master solutions were diluted 1:100 in cell culture medium. The following concentration range was tested in the assay:
2000, 1000, 500, 250, 125, 62.5, 31.25, 15.63, 7.81, 3.91, 1.95, 0.98 µM
Cells were incubated with the test item for 48 h at 37°C. After exposure cells were lysed and luciferase activity was assessed by luminescence measurement.
In the first experiment, no significant luciferase induction > 1.5 was found in the tested concentration range. Therefore, no EC1.5 value could be calculated.
In the second experiment, no significant luciferase induction > 1.5 was found in the tested concentration range. Therefore, no EC1.5 value could be calculated.
No dose response for luciferase activity induction was observed for each individual run as well as for an overall luciferase activity induction.
Under the condition of this study the test item is therefore considered as non-sensitiser.
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