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EC number: 241-155-6 | CAS number: 17090-93-6
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Version / remarks:
- 14 June 2021
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- sodium 2-amino-3-carboxypropanoate
- Cas Number:
- 323194-76-9
- Molecular formula:
- C4H7NO4.xNa
- IUPAC Name:
- sodium 2-amino-3-carboxypropanoate
- Test material form:
- solid: particulate/powder
- Details on test material:
- Name: L-aspartic acid, sodium salt monohydrate 1
Batch/Lot number: Z201125/ VG29848563
CAS number: 323194-76-9
Anhydrous substance name: L-aspartic acid, sodium salt, CAS: 17090-93-6
Appearance: Solid, white, crystalline powder
Purity: 98%
Expiry date: 24 November 2022
Storage conditions: Room temperature (15-25 ºC), protected from humidity (tight closed
container)
Constituent 1
- Specific details on test material used for the study:
- Name: L-aspartic acid, sodium salt monohydrate
Lot No.: Z201125 / VG29848563
Expiry date: November 24, 2022
CAS number: 323194-76-9
Molecular weight: 155.1 g/mol*
Purity: min. 98 %
Appearance: white crystalline powder
Storage: at room temperature, protected from humidity
Safety precautions: According to the SDS
In chemico test system
- Details on the study design:
- HPLC system: SHIMADZU LC2030 (Prominence-i LC-2030C)
Serial number: L21445402951AE
Detector: 220 nm – D2 lamp
Column: Zorbax SB-C18 (2.1 x 100 mm, 3.5 µm)
Serial number: USRY003976
Column temperature: 30°C
Sample temperature: 25°C
Injection volume: 7 µL
System equilibration: 50% phase A and 50% phase B for 2 hours at 30°C and running the gradient twice before injecting the first sample
Run time: 20 min
Flow conditions: gradient flow
Mobile phases for HPLC:
Mobile Phase A – 0.1 % (v/v) trifluoroacetic acid in ultra-pure water
Mobile Phase B – 0.085 % (v/v) trifluoroacetic acid in acetonitrile
Table 2. Gradient flow conditions
Time Flow A phase (%) B phase (%)
0 min 0.35 mL / min 90 10
10 min 75 25
11 min 10 90
13 min 10 90
13.5 min 90 10
20 min gradient ends
Results and discussion
- Positive control results:
- Reference control A replicates were included in the HPLC run sequence to verify the HPLC system suitability prior analysis. The mean peptide concentration of A reference control sample replicates was 0.51 mM for the cysteine and 0.50 mM for the lysine peptide.
A standard calibration curve was generated for both cysteine and lysine peptides using serial dilutions from the peptide stock solutions. Calibration standard points were analyzed by linear regression.
Means of the peak areas versus the concentrations of both peptides showed good linearity with r2 = 0.9997 for both cysteine and lysine peptides, covering the concentration range from 0.0167 mM to 0.534 mM.
All validity criteria were within acceptable limits and therefore the study can be considered valid.
In vitro / in chemico
Results
- Key result
- Run / experiment:
- other: 3
- Parameter:
- other: average percent peptide depletion
- Value:
- 0.75
- Vehicle controls validity:
- valid
- Remarks:
- ultrapure water
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- In the course of this study the skin sensitisation potential of the test item L-aspartic acid, sodium salt monohydrate was studied using the Direct Peptide Reactivity Assay (DPRA).
For the test item in order to derive a prediction, two independent valid tests were evaluated, one with cysteine and one with lysine peptides.
Peptide depletion resulting from the positive control cinnamaldehyde was within the expected percentage range both with cysteine and lysine peptides.
The mean back-calculated peptide concentrations of the reference control replicates were within the expected molarity concentration range and the CV % values for the nine reference controls B and C in acetonitrile were also acceptable. For each peptide, all validity criteria were met, confirming the validity of the study.
The mean cysteine peptide depletion value was 1.51 % ± 1.86 % while the lysine peptide depletion value of the test item was 0.00 % ± 0.14 %. The overall mean peptide depletion of the test item was 0.75 %.
Based on these results and the cysteine 1:10 / lysine 1:50 prediction model, the test item L-aspartic acid, sodium salt monohydrate was concluded to be negative and to show no or minimal reactivity towards the synthetic peptides thus is not a potential skin sensitiser under the experimental conditions of the in chemico Direct Peptide Reactivity Assay (DPRA) method.
- Executive summary:
In the course of this study the skin sensitisation potential of the test item
“L-aspartic acid, sodium salt monohydrate” was studied using the Direct Peptide Reactivity Assay (DPRA).For the test item in order to derive a prediction two independent valid tests were evaluated, one with cysteine and one with lysine peptides.
The standard calibration curve has r2=0.9997 for both cysteine and lysine peptides, covering the concentration range from 0.0167-0.534 mM. The mean back-calculated peptide concentrations of the reference control A replicates were within the expected molarity concentration range for the cysteine run (0.51 mM) and for the lysine run (0.49 mM) and the CV % for the nine reference controls B and C in acetonitrile were 2 % and 0.3 % for the cysteine and lysine runs respectively.
Peptide depletion resulting from the positive control cinnamaldehyde was within the expected percentage range both with cysteine and lysine peptides. Peptide depletion resulted from the positive control cinnamaldehyde was 69.90 % ± 0.23 % with cysteine peptide and the lysine peptide depletion value was 43.90 % ± 3.20 %. For each peptide, all validity criteria were met, confirming the validity of the study.
For the test item the mean cysteine peptide depletion value was 1.51 % ± 1.86 % while the mean lysine peptide depletion value was 0.00 % ± 0.14 %.
The overall percent peptide depletion was calculated for the test item. No co-elution was observed with the 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 0.75 %, which is under the 6.38 % threshold of the applicable prediction model and classified as negative with no or minimal reactivity.
Based on these results and the cysteine 1:10 / lysine 1:50 prediction model, the test item L-aspartic acid, sodium salt monohydrate was concluded to be negative and to show no or minimal reactivity towards the synthetic peptides thus is not a potential skin sensitiser under the experimental conditions of the in chemico Direct Peptide Reactivity Assay (DPRA) method.
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