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EC number: 265-367-3 | CAS number: 65072-36-8
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 3-8 April, 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Conducted according to OECD guideline No. 442C
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:
- Adopted: 4 February 2015
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
- Justification for non-LLNA method:
- This test is part of a tiered strategy for skin sensitisation assessment
Test material
- Reference substance name:
- Lithium 2-aminobenzothiazole-6-sulphonate
- EC Number:
- 265-367-3
- EC Name:
- Lithium 2-aminobenzothiazole-6-sulphonate
- Cas Number:
- 65072-36-8
- Molecular formula:
- C7H6N2O3S2.Li
- IUPAC Name:
- lithium 2-amino-1,3-benzothiazole-6-sulfonate
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Bulk Density (g/ml): 0.39
- Particle size distribution (μm): 19.6
- Water solubility: 20%
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: IR2510181
- Expiration date of the lot/batch: 25 October 2019
- Purity test date: Not specified
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability under test conditions: Not specified
- Solubility and stability of the test substance in the solvent/vehicle: soluble at 100 mM in milli-Q water, 20% soluble in water
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: Dissolved in milli-Q water
- Preliminary purification step (if any): Not specified
- Final dilution of a dissolved solid, stock liquid or gel: 100 mM
FORM AS APPLIED IN THE TEST
- 2-ABT lithium sulphonate (off-white powder) was dissolved in milli-Q water for testing
In chemico test system
- Details on the study design:
- Skin sensitisation (In chemico test system) - Details on study design:
2-ABT lithium sulphonate was dissolved in milli-Q water at 100 mM. 50 µL of this solution was incubated with 750 µL of cysteine peptide solution (at 0.667 mM in sodium phosphate buffer at pH 7.5) and 200 µL of acetonitrile. In parallel, 250 µL of the 2-ABT lithium sulphonate solution was incubated with 750 µL of lysine peptide solution (at 0.667 mM in ammonium acetate at pH 10.2). The samples were incubated for 24 (± 2) hours at 25°C and protected from light, after which they underwent a visual inspection. Samples presenting precipitate and phase separation (micelles) were centrifuged at 400g for a period of 5 minutes at room temperature and only supernatants were then injected into the HPLC/UV system. Otherwise, the samples were directly injected into the HPLC/UV system. The respective chromatograms were then analysed and interpreted for the cysteine/lysine reactivity potential of 2-ABT lithium sulphonate.
Results and discussion
- Positive control results:
- Cinnamaldehyde (99.5% purity), a known skin sensitiser, was dissolved in acetonitrile at 100 mM. 50 µL of the solution was incubated with 750 µL of cysteine peptide solution (at 0.667 mM in sodium phosphate buffer at pH 7.5) and 200 µL of acetonitrile. In parallel, 250 µL of cinnamaldehyde solution was incubated with 750 µL of lysine peptide solution (at 0.667 mM in ammonium acetate at pH 10.2). Following HPLC/UV analysis, the average % depletion of cysteine peptide and lysine peptide was 72.15 (SD = 0.18) and 59.91 (SD = 0.50), respectively. The mean depletion rate (%) of cinnamaldehyde was 66.03 (high reactivity). These data are within the ranges of the OECD test guideline (442C) acceptance criteria (60.8-100% and 40.2-69.0% for the cysteine and lysine peptide, respectively), therefore cinnamaldehyde was identified by the laboratory as a viable positive control.
In vitro / in chemico
Resultsopen allclose all
- Run / experiment:
- other: Mean score from samples 1, 2 and 3 of 2-ABT lithium sulphonate
- Parameter:
- other: Cysteine peptide % depletion
- Value:
- 22.76
- Vehicle controls validity:
- valid
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- other: Low reactivity
- Remarks:
- based on the cysteine 1:10-only prediction model. However, precipitates were observed in the cysteine sample following incubation, so the peptide depletion may be underestimated.
- Run / experiment:
- other: Mean score from samples 1, 2 and 3 of 2-ABT lithium sulphonate
- Parameter:
- other: Lysine peptide % depletion
- Value:
- 0
- Vehicle controls validity:
- valid
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- other: Value set to 0 due to negative depletion
- Remarks:
- The test item co-eluted with the lysine peptide. Since the interference percentage of this lysine co-elution was less than 10% of the mean peptide-peak area of the reference control C (i.e. 1.6%), co-elution was considered as baseline noise and integration of the lysine peak was allowed.
- Run / experiment:
- other: Mean score from samples 1, 2 and 3 of 2-ABT lithium sulphonate
- Parameter:
- other: Mean depletion rate (%)
- Value:
- 11.38
- Vehicle controls validity:
- valid
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Remarks:
- Low reactivity - However, since precipitates were observed at the end of the incubation with the cysteine peptide, the peptide depletion may be underestimated.
Applicant's summary and conclusion
- Interpretation of results:
- other: Indication of positive skin sensitising effect.
- Conclusions:
- In an in chemico skin sensitisation test (DPRA), conducted according to OECD test guideline 442C and to GLP, lithium 2-aminobenzothiazole-6-sulphonate was determined to have the potential to cause skin sensitisation.
- Executive summary:
In a study, conducted according to OECD test guideline 442C and to GLP, 100 mM lithium 2-aminobenzothiazole-6-sulphonate (in water) was added to peptide solutions containing cysteine or lysine to assess its potential to cause skin sensitsation.
The samples were incubated for 24 (± 2) hours at 25°C and protected from light, after which they underwent a visual inspection. Samples presenting precipitate and phase separation were centrifuged at 400g for 5 minutes and the supernatant was injected into the HPLC/UV system. Otherwise, the samples were directly injected into the HPLC/UV system. The respective chromatograms were then analysed and interpreted for the cysteine/lysine reactivity potential of lithium 2-aminobenzothiazole-6-sulphonate. The mean percentage cysteine and lysine depletion was 11.38%, however, since precipitates were observed in the cysteine sample following incubation, the peptide depletion may be underestimated.
In this reliable study, lithium 2-aminobenzothiazole-6-sulphonate was determined to have the potential to cause skin sensitisation.
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