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Diss Factsheets
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EC number: 700-768-3 | CAS number: 1285610-71-0
- 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:
- 2011-10-26 - 2012-01-26
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: in-vitro experiment, not yet supported by guideline
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- The reactivity of the test article towards synthetic cysteine (C)- or lysine (K)-containing peptides was evaluated in the Direct Peptide Reactivity Assay (DPRA). For this purpose the test substance is incubated with synthetic peptides for 24 hours at room temperature and the remaining non-depleted peptide concentration is determined thereafter by high performance liquid chromatography with gradient elution and UV-detection at 220 nm. The peptide depletion of test-substance incubated samples is compared to the peptide depletion of the negative control samples and expressed as relative peptide depletion.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- BASF SE, Experimental Toxicology and Ecology
- Type of study:
- other: Direct Peptide Reactivity Assay (DPRA)
Test material
- Reference substance name:
- Bis-[N-C13-(branched and linear)-alykl]-ammonium O,O-dipropan-2-yl phosphorodithioate
- EC Number:
- 700-768-3
- Cas Number:
- 1285610-71-0
- Molecular formula:
- C26H56N.C6H14O2PS2
- IUPAC Name:
- Bis-[N-C13-(branched and linear)-alykl]-ammonium O,O-dipropan-2-yl phosphorodithioate
Constituent 1
Results and discussion
Any other information on results incl. tables
Experimental Result
The test substance was soluble in acetonitrile. However when mixed with the peptide stock solution or, in the case of the test-substance control with the peptide buffers, the samples became cloudy directly after preparation. After 24 hours the samples were clear but precipitates were noticed in the samples of the C-peptide. Thus the samples of the C-peptide and the co-elution control were centrifuged or filtrated prior to HPLC analysis. In the 1st test run performed with the K-containing peptide a mean depletion of 25.4% was determined. Co-elution of the K-containing peptide and the test substance was noticed. Thus, in order to improve separation of the peaks, an alternative analytical method was run. A mean K-peptide depletion of 19.4% was determined. The mean C-peptide depletion, caused by the test substance was determined to be -6.9% using the standard analytical method. No co-elution of test substance and C-peptide was noticed.
To verify the results mentioned above, an additional test run was performed with both peptides. The alternative analytical method was used and further modified by measuring UV absorbance at 258 nm in addition. The peak area ratio 220/258 was calculated and used as a measure for peak purity. The mean C-peptide depletion, caused by the test substance was determined to be -2.7%. Peak purity was confirmed by a constant area ratio 220/258. The mean K-peptide depletion, caused by the test substance was determined to be 26.5%. Peak purity was confirmed by a constant area ratio 220/258. Negative depletions were considered to be “zero” for calculation of the mean peptide depletion, which was thus calculated to be 11.9%.
Mean Peptide Depletion
For the test substance the mean peptide depletion as average of cysteine- and lysine-peptide depletions is calculated and summarized in the table below. Negative depletions were considered to be “zero” for calculation.
Cystein-Peptide | Lysine-Peptide | ||||
mean depletion [%] | SD | mean depletion [%] | SD | mean of both depletions [%] | |
positive control | 99.1 | 1.1 | 99.2 | 1.2 | 99.1 |
test article | -4.8 | 2.4 | 23.7 | 3.4 | 11.9 |
Discussion
The test substance did not cause depletion of the cysteine-containing peptide. However, depletion of the lysine-containing peptide between 19.4% and 26.5% was observed. In addition co-elution of the test substance with the lysine-containing peptide was noticed.
Nevertheless the results are considered to be valid as the three test runs performed with different analytical methods produced comparable values for peptide depletion. Additionally peak purity, determined in the 3rd test run, demonstrated that the peptide peaks could be integrated correctly.
Applicant's summary and conclusion
- Conclusions:
- Based on the observed results and applying the prediction model proposed in Gerberick et. al (2007) it was concluded that the test article shows a low chemical reactivity in the DPRA under the test conditions chosen.
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