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EC number: 252-743-7 | CAS number: 35835-94-0
- 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 chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 05 March 2019 - 14 March 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2020
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:
- Ethyltriphenylphosphonium acetate
- EC Number:
- 252-743-7
- EC Name:
- Ethyltriphenylphosphonium acetate
- Cas Number:
- 35835-94-0
- Molecular formula:
- C20H20P.C2H3O2
- IUPAC Name:
- ethyltriphenylphosphanium acetate
- Test material form:
- solid
Constituent 1
In chemico test system
- Details on the study design:
- Skin sensitisation (In chemico test system) - Details on study design:
Synthetic peptide containing Cysteine: Ac-RFAACAA-OH
Synthetic peptide containing Lysine: Ac-RFAAKAA-OH
Positive Control: Cinnamic Aldehyde
Preparation of Stability Controls and Precision Control
Stability controls (Reference Control B), precision controls of both peptides were prepared at a concentration of 0.5 mM in acetonitrile/buffer.
Preparation of Positive Control Solution and Test Item Stock Solutions
The positive control chemical (Cinnamic Aldehyde) was prepared at a concentration of 100 mM in acetonitrile. A 100 mM stock solution of ETPPAAc was also prepared in acetonitrile.
Preparation of Positive Control and Cysteine Peptide Depletion Samples and Co-elution Controls
Triplicate solutions each of the positive control and ETPPAAc stock solutions were diluted with the Cysteine peptide stock solution to prepare solutions containing 0.5 mM Cysteine and 5 mM of Cinnamic Aldehyde or 5 mM ETPPAAc. For the co-elution control, buffer solution was used in place of the Cysteine stock solution.
Preparation of Positive Control and Lysine Peptide Depletion Samples and Co-elution Controls
Triplicate solutions each of the positive control and ETPPAAc stock solution were diluted with the Lysine peptide stock solution to prepare solutions containing 0.5 mM Lysine and 25 mM of Cinnamic Aldehyde or 25 mM ETPPAAc. For the co-elution control, buffer solution was used in place of the Lysine stock solution.
Incubation
The appearance of the ETPPAAc and positive control samples in the HPLC vials was documented following preparation and then the vials placed into the autosampler of the HPLC set at 25°C for a minimum of 22 hours incubation prior to initiation of the analysis run. Prior to initiation of the run the appearance of the samples in the vials was assessed and documented again.
Analysis
The concentration of both the Cysteine and Lysine peptides in the presence of ETPPAAc and the associated positive controls was quantified by HPLC using UV detection.
The peak area response for the peptide in each calibration chromatogram was measured. Calibration curves were constructed by linear regression of standard response versus standard concentration. The area responses of the peptide peak observed at the characteristic retention time of each peptide in each sample chromatogram was measured. Peptide depletion was determined using the following equation:
% Peptide depletion = 100 - (Peptide peak area in replicate depletion samples (x 100))/(Mean Peptide peak area of reference control samples B)
Results and discussion
- Positive control results:
- 72.4% Cysteine depletion
51.8% Lysine depletion
In vitro / in chemico
Resultsopen allclose all
- Run / experiment:
- run/experiment 1
- Parameter:
- cysteine depletion
- Value:
- -2.41 %
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks:
- 72.4% depletion
- Run / experiment:
- run/experiment 1
- Parameter:
- lysine depletion
- Value:
- -0.514 %
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks:
- 51.8% depletion
- Other effects / acceptance of results:
- Solubility of ETPPAAc was achieved at a nominal concentration of 100 mM in acetonitrile.
ACCEPTANCE OF RESULTS:
- Acceptance criteria met for negative control: yes
- Acceptance criteria met for positive control: yes
- Acceptance criteria met for variability between replicate measurements: yes
Any other information on results incl. tables
The DPRA prediction and the reactivity of the test item based on the overall mean and the individual depletion valuesin the Cysteine peptide and the Lysine peptide are presented below. All analytical acceptance criteria for each peptide run were met:
All analytical acceptance criteria for each peptide run were met: |
Peptide |
Standard Linearity |
Positive control depletion (%) |
Reference controls |
Test item |
Acceptance |
Cysteine |
r2>0.99 |
60.8-100(SD<14.9%) |
0.45-0.55mM(CV <15%) |
SD<14.9% |
criteria |
Lysine |
r2>0.99 |
40.2-69.0 (SD<11.6%) |
0.45-0.55mM (CV <15%) |
SD<11.6% |
Achieved |
Cysteine |
r2>0.999 |
72.4(SD, 0.58%, n=3) |
B: 0.504mM (CV0.64%, n=6) |
SD0.48%(n=3) |
results |
Lysine |
r2>0.999 |
51.8(SD, 0.60%, n=3) |
B: 0.501mM (CV1.63%, n=6) |
SD0.22%(n=3) |
The depletion of peptide in the presence of the test item was:
Peptide |
Reference Control |
Mean peak area of peptide with test item(µV.sec) |
Mean peptide depletion by |
Cysteine |
Control B: 921660 (n=6) |
941360 (n=3) |
-2.41 (n=3) |
Lysine |
Control B: 783900 (n=6) |
787930 (n=3) |
-0.514 (n=3) |
Applying the following reactivity prediction depletion model (below), reactivity of ETPPAAc is classed as “no or minimal” and the DPRA prediction is therefore negative and is therefore predicted not to be a potential skin sensitizer.
Mean of cysteine and lysine% depletion |
Reactivity Class |
DPRA Prediction |
0%≤ mean% depletion ≤6.38% |
No or minimal reactivity |
Negative |
6.38%< mean% depletion ≤22.62% |
Low reactivity |
Positive |
22.62%< mean% depletion ≤42.47% |
Moderate reactivity |
|
42.47%< mean% depletion ≤100% |
High reactivity |
There was no co-elution peaks in either the Cysteine or Lysine assay.
Applicant's summary and conclusion
- Interpretation of results:
- other: expert judgement
- Remarks:
- negative for the first key event of the skin sensitisation Adverse Outcome Pathway
- Conclusions:
- negative for the first key event of the skin sensitisation Adverse Outcome Pathway
- Executive summary:
The purpose of this study (based on the OECD guideline for the testing of chemicals,In chemicoSkin Sensitisation: Direct Peptide Reactivity Assay (DPRA), OECD document TG 442C) was to assess the reactivity and sensitizing potential of ETPPAAc.
Solutions of the test item were successfully analyzed by the validated DPRA analytical method in both the Cysteine and Lysine containing synthetic peptides. There was no reactivity of both peptides in the presence of the test item. With no peptide depletion, the reactivity of the test item is classified as “no or minimal” and hence the DPRA prediction is negative. ETPPAAc is likely to be a non-skin sensitizer based as based on this assay.
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