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EC number: 467-100-8 | CAS number: -
- 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
Endpoint summary
Administrative data
Description of key information
In chemico/ in vitro testing battery (OECD TG 442 c, d, and e) according to OECD guidelines and under GLP. The DPRA yielded indication for skin sensitization. According to the evaluation criteria in the OECD guideline, a second run should be considered, which has not been carried out. A KeratinoSens assay was negative. An h-CLAT assay yielded indication for skin sensitization in its first run. The second run was negative. Its overall result was equivocal.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- July 2017 - 22 december 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Version / remarks:
- February 4, 2015
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
- Details on the study design:
- The in chemico direct peptide reactivity assay (DPRA) enables detection of the sensitising potential of a test item by quantifying the reactivity of test chemicals towards synthetic peptides containing either lysine or cysteine.
In the present study N-(1,3-Dimethylbutylidene)-3-(triethoxysilyl)propylamine was dissolved in acetonitrile, based on the results of the pre-experiments.
Based on a molecular weight of 303.51 g/mol a 100 mM stock solution was prepared. The test item solutions were tested by incubating the samples with the peptides containing either cysteine or lysine for 24 ± 2 h at 25 ± 2.5 °C. Subsequently samples were analysed by HPLC.
All test item solutions were freshly prepared immediately prior to use. - Key result
- Parameter:
- other: Depletion of the synthetic cysteine peptide (%)
- Value:
- 15.25
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Remarks:
- According to the evaluation criteria in the guideline, for test items with a cysteine peptide depletion between 9% and 17% a second run should be considered. This has not been carried out and, therefore, no definite prediction could be made.
- Other effects / acceptance of results:
- Turbidity in the lysine experiment was observed. Therefore, the given peak areas and corresponding lysine peptide values can only be considered as an estimation of the peptide depletion and cannot be used for evaluation.
Sensitising potential of the test item was predicted from the mean peptide depletion of the cysteine peptide by comparing the peptide concentration of the test item treated samples to the corresponding reference control C (RC Cacetonitrile).
The 100 mM stock solution of the test item showed low reactivity towards the synthetic peptides. The mean depletion of the cysteine peptide was > 13.89% (15.25%). Based on the prediction model 2 the test item can be considered as sensitiser.
See attachment for data tables. - Interpretation of results:
- Category 1B (indication of skin sensitising potential) based on GHS criteria
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 19 July 2017 - 20 March 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: 442e
- Version / remarks:
- adopted 09 October 2017
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- activation of dendritic cells
- Details on the study design:
- The test item was freshly prepared immediately prior to use. The test item was soluble in tetrahydrofuran (THF) at a concentration of 500 mg/mL.
Stock solutions were prepared by diluting the highest soluble concentration seven times with a constant dilution factor of 1:2.
The working stock solutions were prepared by diluting each stock solution 250 times with cell culture medium.
Phase separation was observed in the dose finding assay when diluted 1:250 in cell culture medium. Sonication was used to aid solubilisation. No precipitation, turbidity or phase separation was observed in the main experiment when diluted 1:250 in cell culture medium.
The working stock solutions were applied to the cells by adding equal volumes of each solution to prepared cells, resulting in a further 1:2 dilution of the working solutions. The solvent was present at a constant volume ratio of 0.2% (v/v) in all cultures, i.e. in all concentrations of the test item and the solvent control.
A medium control, a solvent control, and a positive control were set up in parallel in order to confirm the validity of the test.
Medium Control
A medium control was included in the test.
Solvent Controls
Solvent controls were included in the test. The solvent controls were set up depending on the appropriate solvent.
Since the test item was solubilized in THF, a THF control served as solvent control for the test item.
Since the positive control was solubilized in DMSO, a DMSO control was included and served as solvent control for the positive control.
The solvent controls were diluted according to the procedure described for the test item in chapter 10.7.1, resulting in a final concentration of 0.2% (v/v) for THF.
Positive Control
2,4-dinitrochlorobenzene (DNCB) at a final concentration of 4 μg/mL (alternatively at the concentration of the CV75) was tested concurrently with the test item. DNCB was dissolved in DMSO and diluted according to the procedure described for the test item in chapter 10.7.1, resulting in a final DMSO concentration of 0.2% (v/v). - Key result
- Run / experiment:
- other: first
- Parameter:
- other: CD86 (% upregulation)
- Value:
- 193
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- other: upregulation above the threshold of 150% was observed at a concentration of 593.09 μg/mL
- Key result
- Run / experiment:
- other: second
- Parameter:
- other: CD86 (% upregulation)
- Value:
- 150
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Other effects / acceptance of results:
- Relative cell viability at the highest test item concentration was reduced to 82.9% (CD86), 83.9% (CD54) and 82.8% (isotype IgG1 control) in the first experiment and to 82.4% (CD86), 82.7% (CD54) and 81.1% (isotype IgG1 control) in the second experiment.
The expression of the cell surface marker CD86 was upregulated to 193% in the first experiment but not the second. The upregulation above the threshold of 150% was observed at a concentration of 593.09 μg/mL. The expression of the cell surface marker CD54 was not upregulated above the threshold of 200% in any of the experiments. Due to the equivocal outcome of these two experiments, no prediction could be made.
See attachment for data tables. - Interpretation of results:
- Category 1B (indication of skin sensitising potential) based on GHS criteria
- Conclusions:
- CD86 upregulation above the threshold of 150%, indicating potency for skin sensitization, was observed at a concentration of 593.09 μg/mL during the first run.
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 19 July 2017 - 18 May 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442D (In Vitro Skin Sensitisation: ARE-Nrf2 Luciferase Test Method)
- Version / remarks:
- adopted: February 04, 2015
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- activation of keratinocytes
- Details on the study design:
- Test item.
All test item solutions were freshly prepared immediately prior to use.
The test item was dissolved in Tetrahydrofuran (THF, CAS No.: 67-68-5, purity ≥99%, Merck, Lot No.: I864407/ Sigma, Lot No.: STBH3251). A stock solution of 200 mM was prepared by pre-weighing the test material into a glass vial. A correction factor of 1.17 was applied to correct for the purity of the test item.
Based on the stock solution a set of twelve master solutions in 100% solvent was prepared. Therefore, the stock solution of the test item was diluted eleven times using a constant dilution factor of 1:2. Then, the twelve 100x concentrated master solutions were further diluted 1:25 in cell culture medium resulting in a 4% share of the solvent.
These 4x concentrated test item solutions were finally diluted 1:4 when incubated with the cells. Based on this procedure the final concentration of the solvent was 1% (v/v) for all test item concentrations as well as the solvent control.
The following concentration range was tested in the assay:
2000, 1000, 500, 250, 125, 62.5, 31.25, 15.63, 7.81, 3.91, 1.95 and 0.98 μM
Controls
A blank, solvent controls and a positive control were set up in parallel in order to confirm the validity of the test.
Solvent Controls
DMSO (AppliChem; Lot No.: 0001055932, 0001779895) at a final concentration of 1% (v/v) in test item exposure medium was used as solvent control for the positive control.
THF at a final concentration of 1% (v/v) in test item exposure medium was used as solvent control for the test item.
For each solvent control six wells were included in every testing plate. The preparation of the solvent controls was carried out analogous to the test item.
Positive Control
Cinnamic aldehyde (CA, (2E)-3-phenylprop-2-enal; CAS 104-55-2; >98%; Alfa Aesar; Lot No.: 10176010) was used as positive control. CA was dissolved in DMSO at a concentration of 6.4 mM and was further diluted four times with a constant dilution factor of 1:2 resulting in a concentration range of 0.4 – 6.4 mM. The subsequent preparation of the positive control was carried out analogous to the preparation of the test item, resulting in a final concentration range of 4 – 64 μM. The final concentration of the solvent DMSO was 1% (v/v) for all wells.
Blank
A blank well without seeded cells was included in every plate to determine the background. The well was incubated with the negative control. - Key result
- Run / experiment:
- other: first
- Parameter:
- other: luciferase induction (fold)
- Remarks:
- all concentrations upto 2 mM
- Value:
- 1.5
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Key result
- Run / experiment:
- other: second
- Parameter:
- other: luciferase induction (fold)
- Remarks:
- all concentrations upto 2 mM
- Value:
- 1.5
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Other effects / acceptance of results:
- No dose response for luciferase activity was observed for each of the individual runs as well as for the average, overall luciferase activity induction. No significant luciferase induction > 1.5 was found in the tested concentration range and no EC1.5 value could be calculated. See attachment for data tables.
- Interpretation of results:
- GHS criteria not met
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Based on a positive DPRA and equivocal h-CLAT assay according to OECD guidelines and under GLP, 3 -Triethoxysilyl-(1,3 -dimethylbutylidene)propylamine is classified as Category 1B (indication of skin sensitising potential) according to GHS criteria.
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