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EC number: 280-084-5 | CAS number: 82985-35-1
- 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
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Please refer to attached justification documents
- Principles of method if other than guideline:
- The result was obtained using an appropriate QSAR method.
- GLP compliance:
- no
- Transformation products:
- yes
- No.:
- #1
- No.:
- #2
- pH:
- 4
- DT50:
- 0.3 h
- Remarks on result:
- other: 20 - 25 °C
- pH:
- 7
- DT50:
- 6.9 h
- Remarks on result:
- other: 20 - 25 °C
- pH:
- 9
- DT50:
- 0.1 h
- Remarks on result:
- other: 20 - 25 °C
- pH:
- 2
- Temp.:
- 37.5 °C
- DT50:
- 0.083 min
- Conclusions:
- The predicted hydrolysis half life of bis(trimethoxysilylpropyl)amine is 6.9 hours at 20 °C and pH 7 was obtained using an accepted QSAR model.
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - The test item is prone to hydrolysis. Therefore in the frame of the biodegradation test (see cross reference) according to national standards, a preliminary test on the hydrolysis of the substance was performed. The hydrolysis test was performed in purified water for 2 h duration. The test item hydrolyses to methanol and a silanol hydrolysis product. Methanol was analytically monitored at several timepoints in order to gather information on the hydrolysis rate of the test item.
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products: samples were taken just after preparation of the test solution and after 0.5, 1 and 2 h.
- Sampling method: 2 mL were taken from the test solution. - Details on test conditions:
- TEST MEDIUM
- Volume used/treatment: 300 mL
- Kind and purity of water: purified water
- Preparation of test solution: In each test vessel, 29.0 µL (test item 30.2 mg) of the test sample was taken out by microsyringe and added to 300 mL of stirring purified water, so that the concentration of the test item reached 100 mg/L.
OTHER TEST CONDITIONS
- Adjustment of pH: not mentioned - Duration:
- 2 h
- Remarks:
- initial concentration of test item added: 100 mg/L (corresponds to 17 mg methanol). Room Temperature
- Number of replicates:
- 2
- Negative controls:
- no
- Transformation products:
- yes
- No.:
- #1
- Details on hydrolysis and appearance of transformation product(s):
- - Formation of transformation product during test: the produced amount of methanol reached to the theoretical amount already at the first measurement just after preparation of the solution, showing that the test item hydrolyzes rapidly.
- Remarks on result:
- other: see field "details on results"
- Details on results:
- - The produced amount of methanol reached to the theoretical amount already at the first measurement just after preparation of the solution, showing that the test item hydrolyzes rapidly.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The test item is prone to hydrolysis. Therefore in the frame of the biodegradation study, a preliminary test on the hydrolysis of the substance was performed. Since the test item hydrolyses to methanol and a silanol hydrolysis product, methanol was analytically monitored at several timepoints in order to gather information on the hydrolysis rate of the test item. The produced amount of methanol reached to the theoretical amount already at the first measurement just after preparation of the solution, showing that the test item hydrolyzes rapidly.
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - The test item is prone to hydrolysis. Therefore in the frame of the environmental toxicity studies (see cross references) conducted according to national standards, a preliminary test on the hydrolysis of the substance was performed. The hydrolysis test was performed in purified water for 2 h duration. The test item hydrolyses to methanol and a silanol hydrolysis product. Methanol was analytically monitored at several timepoints in order to gather information on the hydrolysis rate of the test item.
- GLP compliance:
- yes
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products: samples were taken just after preparation of the test solution and after 0.5, 1 and 2 h.
- Details on test conditions:
- TEST MEDIUM
- Kind and purity of water: ultra pure water.
- Preparation of test solutions: test samples and ultra pure water were mixed and stirred. - Duration:
- 2 h
- Initial conc. measured:
- 156 mg/L
- Remarks:
- Temperature: Room Temperature
- Number of replicates:
- Not reported
- Positive controls:
- not specified
- Negative controls:
- no
- Transformation products:
- yes
- No.:
- #1
- Remarks on result:
- other: see field "details on results"
- Details on results:
- - The produced amount of methanol reached to the theoretical amount already at the first measurement just after preparation of the solution, showing that the test item hydrolyzes rapidly.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The test item is prone to hydrolysis. Therefore in the frame of environmental toxicity studies, a preliminary test on the hydrolysis of the substance was performed. Since the test item hydrolyses to methanol and a silanol hydrolysis product, methanol was analytically monitored at several timepoints in order to gather information on the hydrolysis rate of the test item. The produced amount of methanol reached to the theoretical amount already at the first measurement just after preparation of the solution, showing that the test item hydrolyzes rapidly.
Referenceopen allclose all
Table 1: Produced amount of methanol (in mg and %)
Sampling Point | Production of methanol (GC) | ||||
just after preparation | 0.5 h | 1 h | 2 h | ||
water + test item_1 | mg | 16.4 | 16.1 | 16.4 | 16.5 |
% | 96 | 95 | 96 | 97 | |
water + test item_2 | mg | 16.4 | 16.3 | 16.3 | 16.4 |
% | 96 | 96 | 96 | 96 | |
Theoretical amount | 17 |
It was considered that hydrolysis was completed when theoretical formed concentration of the methanol was detected.
Table 1: measured concentrations of methanol.
Settlement time [h] | Measured Concentration (mg/L) |
0 |
82.8 |
0.5 |
83.6 |
1 |
86.4 |
2 |
89.5 |
* Theoretical formed concentration is 87.8 mg/L
The concentration of methanol was 94.3% of the theoretical formed concentration right after preparation and 102% after 2 h. Therefore the test item is hydrolyzed completely within 2 h.
Description of key information
Hydrolysis half-life: 6.9 h at 20-25°C and pH 7
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 6.9 h
Additional information
A preliminary test on the hydrolysis of the substance was performed within the frame of the biodegradation test according to national guideline standards and GLP. The hydrolysis test was performed in purified water with the duration of 2 h. The test item hydrolyses to methanol and the respective silanol hydrolysis product. Methanol was analytically monitored at time points 0, 0.5, 1 and 2 h and room temperature by GC in order to gather information on the hydrolysis rate of the test item. Based on the analytically measured emerged methanol, the test item was hydrolyzed right after the preparation of the solution at time point 0 (96% measured methanol compared to the theoretical amount in the substance).
Furthermore a preliminary hydrolysis test was conducted within the purposes of the environmental toxicity studies. The hydrolysis test was performed in purified water. It was considered that hydrolysis was completed when theoretical formed concentration of the methanol was detected. Methanol was analytically monitored at time points 0, 0.5, 1 and 2 h and the test was performed at room temperature. Based on the analytically measured emerged methanol, the test item was almost completely hydrolyzed right after the preparation of the solution at time point 0. 94.3% methanol was measured right after preparation of the solution and 102% methanol was measured after 2 h.
Furthermore a half-life value of 6.9 h at 20 - 25°C and pH 7 was obtained using an accepted validated QSAR method (Peter Fisk Associates, 2012).
The QSAR method was developed by Peter Fisk Associates (2012) and predicts half-lives at 20 -25°C of 0.3 h at pH 4 and 0.1 h at pH 9. As the hydrolysis reaction may be acid or base catalysed, the rate of reaction is expected to be slowest at pH 7 and increase as the pH is raised or lowered.
For an acid-base catalysed reaction in buffered solution, the measured rate constant is a linear combination of terms describing contributions from the uncatalyzed reaction as well as catalysis by hydronium, hydroxide, and general acids or bases.
kobs= k0+ kH3O+[H3O+] + kOH-[OH-] + ka[acid] + kb[base]
At extremes of pH and under standard hydrolysis test conditions, it is reasonable to suggest that the rate of hydrolysis is dominated by either the hydronium or hydroxide catalysed mechanism. This is supported by studies for various organosilicon compounds in which calculation of kH3O+and kOH-from the experimental results at pH 4 and 9, respectively, resulted in reasonable estimates of the half-life at pH 7 (Peter Fisk Associates 2012a).
Therefore, at low pH:
kobs˜kH3O+[H3O+]
At pH 4 [H3O+]=10-4mol dm-3and at pH 2 [H3O+]=10-2mol dm-3; therefore, kobsat pH 2 should be approximately 100 times greater than kobsat pH 4.
The half-life of a substance at pH 2 is calculated based on:
t1/2(pH 2) = t1/2(pH 4) / 100
The calculated half-life of bis(trimethoxysilylpropyl) amine at pH 2 is 0.003 seconds. However, it is likely that factors such as diffusion become rate-determining when the half-life is less than 5-10 seconds. As a worst-case it can therefore be considered that the half-life for bis(trimethoxysilylpropyl)amine at pH 2 and 20-25°C is approximately 5 seconds. Reaction rate increases with temperature therefore hydrolysis will be faster at physiologically relevant temperatures compared to standard laboratory conditions. Under ideal conditions, hydrolysis rate can be recalculated according to the equation:
DT50(XºC) = DT50(T) x e(0.08*(T-X))
Where T = temperature for which data are available and X = target temperature.
Thus, for bis(trimethoxysilylpropyl)amine the hydrolysis half-life at 37.5ºC and pH 2 (relevant for conditions in the stomach following oral exposure), it is not appropriate to apply any further correction for temperature to the limit value and the hydrolysis half-life is therefore approximately 5 seconds.
The hydrolysis products are bis(trihydroxysilylpropyl)amine and methanol.
In conclusion all data reveal in a weight of evidence approach a fast hydrolysis of the substance. Based on the experimental data retrieved in preliminary tests of biodegradation and environmental toxicity studies, the substance hydrolyses rapidly in water and its half-life is less than the trigger value of 1 h given by the guidelines. However since no pH is mentioned in these preliminary tests the t1/2 = 6.9 h at pH from the QSAR results is used as key value.
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