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EC number: 219-251-4 | CAS number: 2396-61-4
- 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:
- 2 019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Deviations:
- yes
- Remarks:
- Minor deviation which was considered uncritical and which is not an acceptance criterium for the study.
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- other: Direct Peptide Reactivity Assay
Test material
- Reference substance name:
- 3,3'-oxydipropanol
- EC Number:
- 219-251-4
- EC Name:
- 3,3'-oxydipropanol
- Cas Number:
- 2396-61-4
- Molecular formula:
- C6H14O3
- IUPAC Name:
- 3-(3-hydroxypropoxy)propan-1-ol
- Test material form:
- liquid
Constituent 1
In chemico test system
- Details on the study design:
- Positive controls were treated identically as the test item. The following positive controls were used:
• Cinnamaldehyde (CAS 104-55-2, food grade ≥95 %, batch no. MKBT8955V) was used as 100 mM (± 10 %) solution in acetonitrile for the Cys-peptide.
• 2,3-Butanedione (CAS 431-03-8, ≥99 %, batch no. BCBM5232V) was used as 100 mM (± 10 %) solution in acetonitrile for the Lys-peptide
As cinnamaldehyde mixed with the lysine peptide turned turbid in all experiments per-formed during the implementation phase, it was considered unsuitable as positive control. Instead, the proficiency chemical 2,3-Butanedione is used as positive control showing mid-range depletion for the lysine peptide.
Solvent controls
For both peptides, four sets of solvent controls using acetonitrile instead of test item stock solution were prepared in triplicate (sets A, B1, B2 and C, total 12
samples per peptide). Set A was analysed together with the peptide calibration standards, sets B1 and B2 were analysed at the start and end of the analysis
sequence and were used as stability control for the peptide over the total analysis time. Set C was incubated and analysed together with the samples and was
used for calculation of the peptide depletion.
Co-elution control
Sample prepared from the respective peptide buffer and the test item, but without peptide
Incubation
The positive control, solvent control sets C, and test item samples were incubated in closed amber glass HPLC vials in an incubation chamber
for 23 h for the Cys-peptide and 22.5 h for the Lys-peptide, respectively, at 25 °C.
In experiment 2 the incubation time was 22 h for the Cys-peptide and 22 h and 5 min. for the Lys-peptide. None of the samples were turbid after incubation.
Results and discussion
- Positive control results:
- Acceptance criteria
The mean peptide depletion value for the positive control cinnamaldehyde should be 60.8 % - 100.0 % with a maximum standard deviation (SD) of < 14.9 % for the Cys-peptide.
The mean peptide depletion value for the positive control 2,3-butanedione should be 10.0 % - 45.0 % with a maximum standard deviation < 11.6 % for the Lys- peptide.
The standard deviation for the test item replicates should be < 14.9 % for the per-cent cysteine depletion and < 11.6 % for the percent lysine depletion.
Assessment
The mean peptide depletion with the values 80.01 % and 80.87 % and a standard deviation of 2.28 % and 1.57 % for the three replicates of the positive control cinnamaldehyde were in the acceptable range of 60.8 – 100.0 % and < 14.9 %, respectively, for the Cys-peptide.
The mean peptide depletion with a value of 13.58 % and 24.62 % and a standard deviation of 1.25 % and 4.53 % for the three replicates of the positive control 2,3-Butanedione were in the acceptable range of 10.0 – 45.0 % and < 11.6 %, respec-tively, for the Lys-peptide.
The standard deviation for the test item replicates with 1.99 % and 2.32 % was < 14.9 % for the percent cysteine depletion for the test item. The standard deviation for the test item replicates with 0.14 % and 0.05 % was < 11.6 % for the percent lysine depletion for the test item.
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: Rep. 1-3 / Exp. 1, Mean Value
- Parameter:
- other: Cys-Peptide Depletion
- Value:
- 7.03
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: Rep. 1-3 / Exp. 2 (mean)
- Parameter:
- other: Cys-Peptide Depletion
- Value:
- 4.78
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: Rep. 1-3 / Exp. 1 (mean)
- Parameter:
- other: Lys-Peptide Depletion
- Value:
- 0.27
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: Rep. 1-3 / Exp. 2 (mean)
- Parameter:
- other: Lys-Peptide Depletion
- Value:
- 0.03
- Negative controls validity:
- valid
- Positive controls validity:
- valid
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The sensitizing potential of the test item was examinied according to OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA)). In conclusion, the DPRA prediction is “negative” with minimal reactivity according to the Cysteine 1:10/Lysine 1:50 prediction model. It can be stated that in this study and under the experimental conditions reported, the test item 3,3'-Oxybis-1 -propanol possesses no or minimal skin sensitisation potential.
- Executive summary:
A study was performed in order to evaluate the reactivity of the test item 3,3'-Oxybis-1-propanoltowards cysteine (Cys-) and lysine (Lys-) containing peptides.
A test item solution in acetonitrile and the respective peptide was incubated 23 h at 25 °C for the Cys-peptide and 22.5 h for the Lys-peptide, respectively. In experiment 2 the incubation time was 22 h for the Cys-peptide and 22 h and 5 min. for the Lys-peptide. The peptide concentration after the incubation was measured using HPLC-UV.
Three replicates were prepared using 1:10 and 1:50 molar ratio of the test item with the Cys- and Lys-peptide, respectively. Triplicate samples of the solvent without test item were incubated and measured simultaneously.
Two valid experiment were performed.
In experiment 1 the mean percent area ratio 220 nm/258 nm of the positive control 2,3-butanedione is 120 %. This is marginal out of the given range 90-110 % and shows a peak impurity and co-elution. This was considered uncritical, because the value of the peptide depletion was reported as “co-elution – percent depletion estimated”, it is not an acceptance criterium for the study. A second experiment was performed to verify the results of experiment 1, because the mean percent peptide depletion was 3.65 % and thereforeit is a borderline resultbetween 3 % and 10 %. In this case it is considered to repeat the experiment. The peptide depletion values after incubation are shown in the Table:
Table3 Results
Cys-peptide
depletion [%]Lys-peptide
depletion [%]Mean peptide
depletion [%]Experiment 1
7.03
0.27
3.65
Experiment 2*
4.78
0.03
2.40
*Note: Experiment 2 was performed to verify the result of experiment 1.
In conclusion, the DPRA prediction is “negative” with minimal reactivity according to the Cysteine 1:10/Lysine 1:50 prediction model. It can be stated that in this study and under the experimental conditions reported, the test item 3,3'-Oxybis-1 -propanol possesses no or minimal skin sensitisation potential.
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