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EC number: 688-124-7 | CAS number: 152261-43-3
- 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
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- 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
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- Principles of method if other than guideline:
- Since the test item was expected to be hydrolytically unstable the preliminary test (Tier 1) described in OECD 111 was omitted.
The study was started with “Hydrolysis of unstable substances (Tier 2)“ according to OECD 111 at pH 4, 7 and 9. - GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- 2-ethyl-2-propyl-1,3,6,2-trioxasilocane; 4-(3-aminopropyl)-4-ethoxy-3,5,8-trioxa-4-siladecan-10-ol; 7-(3-aminopropyl)-7-ethoxy-3,6,8,11-tetraoxa-7-silatridecane-1,13-diol
- EC Number:
- 688-124-7
- Cas Number:
- 152261-43-3
- Molecular formula:
- unspecified
- IUPAC Name:
- 2-ethyl-2-propyl-1,3,6,2-trioxasilocane; 4-(3-aminopropyl)-4-ethoxy-3,5,8-trioxa-4-siladecan-10-ol; 7-(3-aminopropyl)-7-ethoxy-3,6,8,11-tetraoxa-7-silatridecane-1,13-diol
- Test material form:
- liquid
- Details on test material:
- Test Item(s): Ethanol, 2,2´-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine
Chemical Name: Ethanol, 2,2´-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine
CAS No.: 152261-43-3
Batch No.: 1190291820
Appearance/Colour: colourless liquid
Expiry Date: 2020-01-29
The identity and purity of the test item is investigated under our LIMS reference 19-04260 (non-GLP).
Constituent 1
- Specific details on test material used for the study:
- Characterization according to Sponsor`s Information:
Test Item(s): Ethanol, 2,2´-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine
Chemical Name: Ethanol, 2,2´-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine
CAS No.: 152261-43-3
Batch No.: 1190291820
Appearance/Colour: colourless liquid
Expiry Date: 2020-01-29
The identity and purity of the test item is investigated under our LIMS reference 19-04260 (non-GLP). - Radiolabelling:
- not specified
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- Conduct of the Study
The stability of the test item in aqueous systems is investigated at pH 4, pH 7, and pH 9 at 25°C, 50°C, and 70°C.
About 25 mg of the test item were dissolved in about 2 g D2O and 18 g of the respective buffer solution (pH 4, 7, and 9).
An aliquot of these solution is transferred into an NMR tube and analysed by 1H NMR spectroscopy at the respective temperature. The tubes are kept at the respective temperature in the NMR spectrometer and are measured after the time intervals specified below
Results and discussion
- Transformation products:
- no
Dissipation DT50 of parent compoundopen allclose all
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.001 s-1
- DT50:
- 578 s
- Type:
- not specified
- Key result
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.008 s-1
- DT50:
- 88 s
- Type:
- not specified
- Remarks on result:
- other: Hydrolysis rate: These values were derived from only two concentration values and have to be regarded as estimates.
- Key result
- pH:
- 4
- Temp.:
- 70 °C
- Remarks on result:
- other: Hydrolysis rate & Half-life:
- Remarks:
- Too fast to establish
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 1 733 s
- Type:
- not specified
- Key result
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.004 s-1
- DT50:
- 178 s
- Type:
- not specified
- Key result
- pH:
- 7
- Temp.:
- 70 °C
- Remarks on result:
- other: Hydrolysis rate & Half-life:
- Remarks:
- Too fast to establish
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- Remarks on result:
- other: Hydrolysis rate & Half-life:
- Remarks:
- Too fast to establish
- Key result
- pH:
- 9
- Temp.:
- 50 °C
- Remarks on result:
- other: Hydrolysis rate & Half-life:
- Remarks:
- Too fast to establish
- Key result
- pH:
- 9
- Temp.:
- 70 °C
- Remarks on result:
- other: Hydrolysis rate & Half-life:
- Remarks:
- Too fast to establish
- Details on results:
- Since the test item was expected to be hydrolytically unstable the preliminary test (Tier 1) described in OECD 111 was omitted.
The study was started with “Hydrolysis of unstable substances (Tier 2)“ according to OECD 111 at pH 4, 7 and 9.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The temperature dependence of the rate constant at pH 4 is given by:
ln k = -7262.8 / T + 17.634
The temperature dependence of the rate constant at pH 7 is given by:
ln k = -8776.3 / T + 21.612
The temperature dependence of the rate constant at pH 9 could not be determined due to fast hydrolysis.
Please note, that the regression curves are based on only two points, because it was not possible to determine the rate of hydrolysis at 70 °C. - Executive summary:
The test item can be described as a mixture of trialkoxy alkyl silanes containing ethanol and diethylene glycol as alcohol parts.
The initially formed trihydroxy alkyl silane undergoes secondary condensation reactions to form oligomeric/polymeric networks under formation of Si-O-Si moieties. This polymeric/oligomeric material could not be identified in the test solutions, due to their low concentrations and the poor NMR sensitivity of the 29Si nucleus.
In an additional experiment, a more concentrated solution of the test item in D2O was prepared and analysed by 29Si NMR spectroscopy. The obtained spectrum can be compared with a spectrum of the non-hydrolysed test item in chloroform-d1.
The 29Si NMR spectrum obtained for the test item in chloroform solution. The signal groups at -45 ppm and -52 ppm can be attributed to the test item, no other silicon species can be detected.
The 29Si NMR spectrum of the aqueous solution of the test item is shown in Figure 8. The observed broad signals at –55 to –70 ppm indicate hydrolysis/condensation under formation of Si-O-Si networks leading to oligomeric/polymeric structures of the test item.
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