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EC number: 260-612-0 | CAS number: 57195-28-5
- 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:
- 2 017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- Dipotassium dodecenylsuccinate
- EC Number:
- 260-612-0
- EC Name:
- Dipotassium dodecenylsuccinate
- Cas Number:
- 57195-28-5
- Molecular formula:
- C16H26K2O4*H2O
- IUPAC Name:
- Dipotassium dodecenylsuccinate
- Test material form:
- liquid
- Details on test material:
- 30 % aqueous solution
pure substance is solid (bulk/powder), but is only used as aqueous solution and blends it into mixture
Substance dissolves in water at 40wt%, then becomes gel and becomes solid, if mixed 61wt% with water
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- batch No. of test material: 170727
- Purity test date: Content Dipotassium dodecenylsuccinate: 30%, Water: 70%
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At +10°C to +25°C, stored in a tightly closed container, in a cool, well-ventilated place, protected from light.
- Stability under test conditions: No data on stability were available to LPT
- Solubility and stability of the test substance in the solvent/vehicle: water
In chemico test system
- Details on the study design:
- Skin sensitisation (In chemico test system) - Details on study design:
1. Preparation of the cysteine or lysine-containing peptides:
Stock solutions of cysteine (Ac-RFAACAA-COOH) and lysine (Ac-RFAAKAA-COOH) containing synthetic peptides of purity higher than 95% were freshly prepared just before their incubation with the test item. The final concentration of the cysteine peptide was 0.666 mM in pH 7.5 phosphate buffer, whereas the final concentration of the lysine peptide was 0.667 mM in pH 10.2 ammonium acetate buffer.
2. Preparation of the test item:
Solubility of the test item in an appropriate solvent was assessed before performing the assay. 360.57 mg test item were dissolved in 3 mL highly purified water immediately before testing to prepare a 100 mM solution. A correction factor of 3.33 was used due to the content of 30% Dipotassium¬dodecenyl¬succinate and 70% water in the test item. The test item solution was then tested as such without any further dilution by incubating at 1:10 and 1:50 ratio with the cysteine and lysine peptides, respectively.
3. Positive control, reference controls and coelution control:
Cinnamic aldehyde (CAS no. 14371-10-9) was used as positive control (PC) at a concentration of 100 mM in acetonitrile. In addition reference controls (i.e. samples containing only the peptide and added acetonitrile were also included in the HPLC run sequence and these were used to verify the HPLC system suitability prior to the analysis (reference controls A), the stability of the reference controls over time (reference control B) and to verify that the solvent used to dissolve the test item does not impact the percent peptide depletion (reference control C). The appropriate reference control for the test item was used to calculate the percent peptide depletion for the test item. In addition a coelution control constituted by the test item alone for the test item analysed was included in the run sequence to detect possible coelution of the test item with either the lysine or the cysteine peptide.
4. Incubation of the test item with the cysteine and lysine peptide solutions:
Cysteine and lysine peptide solutions were incubated in glass autosampler vials with the test item at 1:10 and 1:50 ratio, respectively. The reaction solution was left in the dark at 25 ± 2.5°C for 24 ± 2 hours before running the HPLC analysis. The test item assay was analyzed in triplicate for both peptides. Samples were visually inspected prior to HPLC analysis. If a precipitate would be observed immediately upon addition of the test item solution to the peptide solution, due to low aqueous solubility of the test item, in this case one cannot be sure how much test item remained in the solution to react with the peptide. Therefore, in such a case, a positive result could still be used, but a negative result is uncertain and would be interpreted with due care. No precipitate or phase separation was observed.
5. Preparation of the HPLC standard calibration curve:
A standard calibration curve was generated for both the cysteine and the lysine peptides. Peptide standards were prepared in a solution of 20% acetonitrile : buffer using 100 mM sodium phosphate buffer (pH 7.5) for the cysteine peptide and 100 mM ammonium acetate buffer (pH 10.2) for the lysine peptide. Using serial dilution standards of the peptide stock solution (0.666 mM of cysteine peptide in sodium phosphate or 0.667 mM lysine peptide in ammonium acetate), 6 calibration standards were prepared to cover the range from 0.534 to 0.0167 mM. A blank of the dilution buffer was also included in the standard calibration curve. Suitable calibration curves should have an r2 > 0.99.
I: Standard calibration for cysteine peptide
Sample Identifier Amount of Component
K1 1600 µL stock solution (0.666 mM cysteine peptide or 0.501 mg cysteine peptide/mL) + 400 µL acetonitrile
K2 1000 µL K1 + 1000 µL dilution buffer (80% sodium phosphate buffer + 20% acetonitrile)
K3 1000 µL K2 + 1000 µL dilution buffer
K4 1000 µL K3 + 1000 µL dilution buffer
K5 1000 µL K4 + 1000 µL dilution buffer
K6 1000 µL K5 + 1000 µL dilution buffer
K7 Blank: 2000 µL dilution buffer
II: Standard calibration for lysine peptide
Sample Identifier Amount of Component
K1 1600 µL stock solution (0.666 mM lysine peptide or 0.518 mg lysine peptide/mL) + 400 µL acetonitrile
K2 1000 µL K1 + 1000 µL dilution buffer (80% ammonium acetate buffer + 20% acetonitrile)
K3 1000 µL K2 + 1000 µL dilution buffer
K4 1000 µL K3 + 1000 µL dilution buffer
K5 1000 µL K4 + 1000 µL dilution buffer
K6 1000 µL K5 + 1000 µL dilution buffer
K7 Blank: 2000 µL dilution buffer
6. HPLC preparation and analysis:
I: HPLC equipment:
Pump: Thermo Fisher Scientific, HPG-3200SD
Detector: Thermo Fisher Scientific, VWD-3400RS
Sampler: Thermo Fisher Scientific, WPS-3000 SL
Column Thermostat: Thermo Fisher Scientific, TCC-3000SD
Data system: Chromeleon 7.2, Thermo Fisher Scientific, on a host computer
II: HPLC conditions:
Column / Pre-column: Agilent, Zorbax SB-C-18, 2.1 mm x 100 mm 3.5 µm particle.
Column temperature: 30°C
Sample temperature: 25°C ± 2.5°C
Detection: UV at wavelength = 220 nm
Mobile phase : A - water, 0.1% Trifluoroacetic acid (TFA) (v/v); B - acetonitrile, 0.085% TFA (v/v)
Flow: 0.35 mL/min
Injection volume: 8 µL
Run length: 20 min
III: Gradient program
Time Eluent A Eluent B
0.5 min 90 10
10.0 min 75 25
11.0 min 10 90
12.0 min 10 90
13.0 min 90 10
20.0 min 90 10
If a test item promotes the oxidation of the cysteine peptide, the peak of the dimerised cysteine peptide would have been visually monitored. If dimerisation appears to have occurred, this would be noted as percent peptide depletion would be over-estimated leading to false positive predictions and/or assignment to a higher reactivity class.
HPLC analysis for the cysteine and lysine peptides were performed on one day. All test item solutions were freshly prepared for both assays on one day. The analysis was timed to assure that the injection of the first sample (reference control C) starts 22 to 26 hours after the test item was mixed with the peptide solution. The HPLC run sequences were set up in order to keep the HPLC analysis time to less than 30 hours.
Results and discussion
- Positive control results:
- Cinnamic aldehyde was used as positive control at a concentration of 100 mM in acetonitrile. Treatment with the positive control item revealed a cysteine and lysine peptide depletion of 83.44% cysteine and 57.08% lysine. These values are within the required range of 60.8% and 100% for the cysteine peptide and between 40.2% and 69.0% for the lysine peptide. The maximum standard deviation (SD) for the positive control replicates were < 14.9% for the percent cysteine depletion and < 11.6% for the percent lysine depletion. Therefore, the study can be regarded as valid.
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: mean (%)
- Parameter:
- other: cysteine peptide depletion
- Value:
- 0.76
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: mean (%)
- Parameter:
- other: lysine peptide depletion
- Value:
- 0.78
- Negative controls validity:
- valid
- Positive controls validity:
- valid
Any other information on results incl. tables
No precipitate in the reaction mixture at the end of the incubation time and no coelution were observed.
The linearity of standard calibration curve was r2= 0.9999 forcysteine peptideand for lysine peptide. Hence the requirement of r2> 0.99 was met.
The mean peptide concentrations of reference controls were well within the accepted range of 0.50 ± 0.05 mM and the coefficient of variation (CV) of peptide peak areas for the nine reference controls B and C was <15.0%.
All acceptance criteria of validity were fulfilled in this test.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Dipotassium dodecenylsuccinate revealed a mean cysteine and lysine peptide depletion of 0.770% and, hence, the test item is considered negative and predicted to be a non-sensitiser (no or minimal reactivity) in the Direct Peptide Reactivity Assay (DPRA).
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