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EC number: 947-894-7 | CAS number: -
- 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:
- weight of evidence
- Study period:
- 09 May 2018 - 07 January 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))
- Version / remarks:
- 2015
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- (2-hydroxy-1,1-dimethylethyl)ammonium chloride
- EC Number:
- 221-713-5
- EC Name:
- (2-hydroxy-1,1-dimethylethyl)ammonium chloride
- Cas Number:
- 3207-12-3
- Molecular formula:
- C4H11NO.ClH
- IUPAC Name:
- 1-hydroxy-2-methylpropan-2-aminium chloride
- Test material form:
- liquid
1
In chemico test system
- Details on the study design:
- The reactivity of a test chemical and synthetic cysteine or lysine containing peptides was evaluated by combining the test chemical with a solution of the peptide (reaction samples) and monitoring the remaining concentration of the peptide following 24 ± 2 hours of interaction time at room temperature (25 ± 2.5 °C). The peptide is a custom material containing phenylalanine to aid in detection and either cysteine or lysine as the reactive centre. Relative concentrations of the peptide following the 24 hour reaction time were determined by HPLC with gradient elution and UV detection at 220 nm. Samples were prepared and analysed in triplicates in batches to keep the total HPLC analysis time less than 30 hours.
Results and discussion
- Positive control results:
- The acceptance criteria were met in case of the positive control with the cysteine peptide depletion value of 70.09 % and a mean lysine peptide depletion value of 57.24 %. The SD of the percent peptide depletions of the positive control was 0.65 % and 0.84 % for the cysteine and lysine depletion respectively.
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: mean of three runs
- Parameter:
- other: % peptide depletion cysteine
- Value:
- 3.9
- Vehicle controls validity:
- not examined
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: mean of three runs
- Parameter:
- other: % peptide depletion lysine
- Value:
- 11.68
- Vehicle controls validity:
- not examined
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Other effects / acceptance of results:
- The percent cysteine peptide depletion value of the test item (100 mM) was 3.93 % while of the neat test item (1g/mL) was 11.68 %. The percent lysine peptide depletion of the test item (100 mM) was 0.86 % while of the neat test item (1 g/mL) was 0.02 %.
The standard deviations for the test chemical replicates were 1.87 % and 1.23 % for the percent cysteine depletions and 0.42 % and 0.37 % for the percent lysine peptide depletions respectively.
Any other information on results incl. tables
Table 10 Mean peptide depletion values for the positive control and the test chemical
Name, replicate number |
Obtained mean % cysteine peptide depletion |
Obtained mean % lysine peptide depletion |
Mean % obtained peptide depletion |
(2-Hydroxy-1,1-dimethylethyl)ammonium chloride (mixture of free amine and HCl salt) (100 mM) |
3.93 |
0.86 |
2.40 |
2-Hydroxy-1,1-dimethylethyl)ammonium chloride (mixture of free amine and HCl salt) (1 g/mL) |
11.68 |
0.02* |
5.85 |
CINNAMALDEHYDE |
70.09 |
57.24 |
63.67 |
*Negative depletion values were substituted with zero when calculating the mean peptide depletion
The average percent peptide depletion was calculated for the test item. By using the cysteine 1:10 / lysine 1:50 prediction model (see table below), the threshold of 6.38% average peptide depletion was used to support the discrimination between a skin sensitiser and a non-sensitiser. On the basis of the prediction model, chemicals assigned to the minimal reactivity class should be classified as non-sensitisers whereas chemicals assigned to the low, moderate or high reactivity class should be classified as sensitisers. The test item had the average percent peptide depletion value of 2.40 %, thus the test item is classified as a non-sensitiser.
When the neat test item (1 g/mL) was tested, an average percent peptide depletion value of 5.85 % was obtained, which was under the minimal reactivity threshold value, as well.
Applicant's summary and conclusion
- Interpretation of results:
- other: negative
- Conclusions:
- Based on results of this in chemico Direct Peptide Reactivity Assay according to OECD 442C the test item has no or minimal reactivity towards the synthetic peptides and is thus not considered a potential skin sensitiser.
- Executive summary:
This study was conducted to evaluate the skin sensitisation potential of the test item in chemico. The Direct Peptide Reactivity Assay (DPRA) proposed the molecular initiating event of the skin sensitisation Adverse Outcome Pathway (AOP), namely protein reactivity, by quantifying the reactivity of the test chemical towards cysteine and lysine model synthetic peptides. At the beginning of the assay the solubility of the test chemical was assessed and ultrapure water was chosen as the appropriate solvent.
Two individual tests were conducted with the cysteine peptide, since the first one did not meet the acceptance criteria and had to be rejected. The second run was valid and accepted. Only one individual run was needed with the lysine peptide, which has fulfilled all the acceptance criteria. All in all, the results of the two valid runs were used for the classification of the test item. The positive control replicates showed the expected percent peptide depletion values within acceptable limits with 70.09 % cysteine peptide depletion and 57.24 % lysine peptide depletion. The back-calculated values of the reference control replicates were within the expected molarity concentration range for the cysteine and lysine peptides, as well. Two stock solutions were prepared with the test item for both peptides: in addition to the 100 mM solutions, the test chemical was dissolved to its maximum soluble concentration (neat reaction sample) in the same solvent used to prepare the apparent 100 mM solutions. The percent cysteine peptide depletion value of the test item (100 mM) was 3.93 % while of the neat test item (1 g/mL) was 11.68 %. The percent lysine peptide depletion of the test item (100 mM) was 0.86 % while of the neat test item (1 g/mL) was 0.02 %.
The mean depletion value of the peptides was used to categorise the test chemical in one of the four classes of reactivity. No co-elution was observed with either cysteine or lysine peptides, therefore the Cysteine 1:10 / Lysine 1:50 prediction model was used for the discrimination between sensitisers and non-sensitisers. The mean peptide depletion of the test item was 2.40 % with the 100 mM test item stock solutions and 5.85 % with the 1 mg/mL test item stock solutions, thus none of them exceeded the 6.38 % threshold of the applicable prediction model. The results correspond to a negative outcome indicating that the test item has no or minimal reactivity towards the synthetic peptides, thus is not a potential skin sensitiser.
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