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Diss Factsheets
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EC number: 944-951-8 | 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 vitro
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- September 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
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
- Type of study:
- direct peptide reactivity assay (DPRA)
- Justification for non-LLNA method:
- Substance is exclusively used as an ingredient in cosmetic products and therefore no animal teating is allowed.
Test material
- Reference substance name:
- D-Gluconamide, N-(3-hydroxypropyl)-
- Cas Number:
- 190445-18-2
- Molecular formula:
- C9H19NO7
- IUPAC Name:
- D-Gluconamide, N-(3-hydroxypropyl)-
- Reference substance name:
- gluconic acid, aminopropanol salt
- Molecular formula:
- C9 H21 N1 O8
- IUPAC Name:
- gluconic acid, aminopropanol salt
- Test material form:
- liquid
- Remarks:
- 50% solution in water
- Details on test material:
- % solids in water: 48.0 - 52.0
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- ID: Samson 18
Appearance: liquid
CAS; na
Lot: Z333-94-475
STORAGE: ROOM TEMPERATURE
Purity: 50% in water
In vitro test system
- Details on the study design:
- Justification of test method:
In this assay, the test article is incubated concurrently in two separate buffers, one with cysteine (Ac-RF AACAA-COOH) and one with lysine (Ac-RF AAKAA-COOH). Reactive chemicals bind one or both of the peptides thereby reducing their free concentration levels. The disappearance of each peptide is measured by HPLC/UV. This method does not require any biological material such as enzymes in order for this reaction to take place. It is important to note that the cysteine peptide captures soft electrophiles, while the lysine peptide captures hard electrophiles. This makes the DPRA assay a good choice to screen for reactive chemicals which are associated with allergic contact dermatitis.
Preparation of samples:
- Test Article Stock: Client test article Samson 18 was received by Cyprotex lab staff and stored at room temperature. Samson 18 was provided at 50% (-2M) in water. Stock Samson 18 was diluted in water to 100 mM.
- Reference materials: Reference article stocks were prepared in acetonitrile (Optima LC/MS, 99.9%, Fisher, Waltham, MA, Lot No. 150041, CAS 75-05-8) as directed by the OECD guideline solvent.
- Peptides: A 0.667 mM stock solution of the lysine peptide was prepared by diluting the peptide with Lysine Reaction buffer, and a 0.667 mM stock solution of cysteine peptide was prepared by diluting the peptide in Cysteine Peptide Reaction buffer. Unprepared peptides were stored at approximately -80°C desiccated. Peptides were from LifeTein LLC (South Plainfield, NJ).
Reference substances: p-Benzoquinone (positive), Lactic Acid (negative) and 2,3-Butanedione (positive).
Method for evaluation of peptide depletion:
The cysteine peptide was prepared at 0.667 mM in Cysteine Reaction buffer and the lysine peptide was prepared at 0.667 mM in Lysine Reaction buffer. The reaction mix for cysteine peptide had a 1: 10 test peptide to reference article ratio (0.5 mM cysteine to 5 mM reference article). The reaction mix for lysine peptide had a 1 :50 peptide to reference article ratio (0.5 mM lysine to 25 mM reference article). All reactions were run in triplicate.
Reference control reactions were prepared by mixing 2.5 mL of acetonitrile with 7.5 mL of the respective buffer. A standard curve was prepared for both peptides by adding 400 µL of acetonitrile to 1600 µL of 0.667 mM peptide to make a 0.534 mM standard. This 0.534 mM standard was serial diluted in 20% acetonitrile/buffer to make a 6 point standard curve. A zero peptide standard was also included in the standard curve. No precipitation was observed in either the test or reference article reactions. After 24 ± 2 hours incubation DPRA samples were assayed for peptide depletion via HPLC/UV. After determination of peptide remaining in the analysis, percent depletion relative to vehicle controls was calculated relative to no test article (vehicle control) samples. Peptide reactivity was reported as percent depletion and was calculated using the following formula: % Depletion = ( 1-(test compound area/ vehicle control area)) x 100.
Test Validity and Acceptance Criteria:
For data generated at Cyprotex, basic statistical analysis was performed on the data, which included means of replicates, standard deviations, and CV%. Values within a dose group that varied from the mean by more than _i.2 standard deviations were omitted from the final mean calculation. For the calculation of the DPRA score, negative depletion values are changed to zero prior to averaging the individual peptide depletions.
The results of each assay were evaluated and compared to reference controls. DPRA results were expressed as percent of control. All data were placed in a final datasheet and used to determine reactivity classification. Reference controls were within Cyprotex criteria.
Results and discussion
- Positive control results:
- % cysteine depletion: % Lysine Depletion: Response Class:
p-Benzoquinone = 99.4% p-Benzoquinone = 94.6% high
Lactic acid = 2.9% Lactic acid = 1.1% minimal
2,3-Butanedione = 83.8% 2,3-Butanedione = 23.8% high
In vitro / in chemico
Resultsopen allclose all
- Run / experiment:
- other: Main
- Parameter:
- other: % Cisteine depletion
- Value:
- 0.9
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Run / experiment:
- other: Main
- Parameter:
- other: % Lysine depletion
- Value:
- 0.4
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Other effects / acceptance of results:
- System suitability was shown by examining the r2 value for the standard curves and the average, standard deviation and % coefficient of variation of the reference control samples. The calibration curves for both peptides were shown to have r2 values of greater than 0.99.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- In conclusion Samson 18 was found to be minimally reactive with both the Cysteine and Lysine peptides, and was ranked as negative for sensitization potential.
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