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EC number: 300-346-5 | CAS number: 93925-43-0
- 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- July 2004
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- other: Laboratory Internal Standard
- Version / remarks:
- Exhibit A - Amendment 7a, Simulated Gastric Hydrolysis Tests of Oxides, Maleate, Dilaurate: Scope, Schedule, and Cost, Parametrix, 3 September 2002, Project No. 555-3451-003/03/03b
- Deviations:
- not specified
- Principles of method if other than guideline:
- The purpose of the study was to perform a series of hydrolysis tests at low pH (-1-2. in 0.07N HCl) at 37 °C in order to simulate mammalian gastric systems. The test compounds included in the study were DBTL, DBTM, DBTO and DOTO. Under acidic conditions it is expected that the tin-ligand bond breaks, leading to formation of the corresponding alkyltin chloride and release of the ligand.
Under acidic conditions, the liberated ligands maleate and laurate are not expected to hydrolyze or react further.
The rate and degree of hydrolysis were studied by analysis of the amounts of DBTC and DOTC, and in case of DBTM and DBTL, simultaneously the amounts of the ligands formed in the hydrolysis reactions of the test substances after 0.5, 1.0, 2.0 and 4.0 hours. The concentrations of the hydrolysis products were determined with GC-FPD (DBTC), HPLC-UV (maleate) and GC-MS (laurate and DOTC). - GLP compliance:
- not specified
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- All samples were derivatized and extracted with hexane within 20 minutes after transfer of the contents of the hydrolysis sample. The hexane extracts of the derivatized organotin compounds were stored at 2-10 °C until GC-MS analysis.
- Buffers:
- Not specified
- Estimation method (if used):
- As the simulated gastric hydrolysis study with DOTO was not carried out, no calculations have been described.
- Details on test conditions:
- The study with DOTO was originally of a different design because the determination of DOTC with GC-FPD was not possible, in contrast to DBTC. As an alternative a procedure was used in which DOTO could be separated from the expected hydrolysis product DOTC by extraction with dichloromethane. DOTC was determined by GC-MS after derivatisation with STEB, analogous to the analysis of water samples (method used for the analysis of media used in ecotoxicity testing).
- Remarks:
- Not specified
- Number of replicates:
- Not specified
- Positive controls:
- not specified
- Negative controls:
- not specified
- Statistical methods:
- Not specified
- Transformation products:
- not specified
- Remarks on result:
- not measured/tested
- Remarks on result:
- not measured/tested
- Details on results:
- The extraction of DOTC from 0.07 N HCl with dichloromethane yielded a recovery of< 5%. Therefore, this procedure was not found suitable for the study.
A number of additional verification experiments were carried out to develop an improved method. The results of the experiments all yielded comparable results.
Based on the results of the verification of the method for the determination of DOTO in water (ecotoxicity testing), it was decided by the sponsor not to continue the simulated gastric hydrolysis for DOTO, as it was apparent that DOTO would not sufficiently hydrolyze under simulated gastric hydrolysis conditions.
In this section, the results of three verification experiments are summarized. Multiple factors make it difficult to directly compare the results of the different experiments.
However, the data suggest that DOTO is relatively resistant to the simulated gastric hydrolysis.
A)DOTO was added (weighed amount) to 200 ml of water (DSWL-E, medium used in ecotoxicity testing) and shaken overnight at room temperature. After addition of 8.5 ml 36% HCl, the solution was heated 1 h at 55 °C. Following the addition of the internal standards and adjustment of the pH, DOTC was analyzed with the GC-MS STEB method.
Result: approximately 55% hydrolysis of DOTO into DOTC.
B) DOTO was added (weighed amount) to 100 ml of water (DSWL-E medium used in ecotoxicity testing) and shaken overnight at room temperature. After addition of internal standards and the addition of 4.25 ml 36% HCl, the solution was heated 1 h at 60 °C. Following adjustment of the pH, DOTC was analyzed with the GC-MS STEB method.
Result: approximately 27% hydrolysis of DOTO into DOTC.
C) DOTO was added (weighed amount) to 100 ml of 0.07N HCl and shortly shaken at room temperature. After addition of the internal standards, DOTC was analyzed with the GC-MS STEB method.
Result: approximately 2% hydrolysis into DOTC - Results with reference substance:
- Not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- For DOTO it was not possible to measure the hydrolysis due to analytical difficulties and the physical-chemical properties of the test substance. From data available, it was concluded that DOTO would not fully hydrolyze in the test system.
- Executive summary:
The purpose of the study was to perform a series of hydrolysis tests at low pH (-1-2. In 0.07N HCl) at 37 °C in order to simulate mammalian gastric systems. Under acidic conditions it is expected that the tin-ligand bond breaks, leading to formation of the corresponding alkyltin chloride and release of the ligand.
Under acidic conditions, the liberated ligands maleate and laurate are not expected to hydrolyze or react further.
The concentrations of the hydrolysis products were determined with GC-MS (laurate and DOTC).
DOTO is also a remarkably insoluble test substance. The only way it could be dissolved was by hydrolyzing it to its acetate with acetic acid. Therefore, similar to DBTO, the addition of the test substance to the acidic solution had to take place in the undissolved form.
In contrast to DBTC, the analysis of the DOTC, which is formed during the acidic hydrolysis of DOTO, with GC-FPD was not possible. Therefore, the GC-MS method after STEB ethylation was chosen for the detection of DOTC. To make sure that no unreacted DOTO would also be derivatized and analyzed, a step was foreseen in which DOTO and DOTC were to be separated by an extraction. Unfortunately, the extraction of DOTC from 0,07 N HCl with dichloromethane only yielded very low recoveries.
During the development of a method for the determination of DOTO in water for the analysis of the media used for ecotoxicity testing, some data on the acidic hydrolysis of DOTO were obtained. It was clear that particle size of the test substance had a obvious influence on the level of DOTC formed and was the likely source of the high variability between replicates. Increased temperatures higher than 37°C (up to 60°C) increased the speed of hydrolysis. Summarizing, the percentages of hydrolysis measured never exceeded 55% and were in most cases much lower (i.e., 2% and 27%).
Taking into account these various difficulties, it was decided, in consultation with the sponsor, that the end result would not be meaningful and further efforts to measure the simulated gastric hydrolysis of DOTO were terminated.
It was not possible to carry out the simulated gastric hydrolysis study for dioctyltin oxide (DOTO, CAS # 870-08-6). From the information available, it was concluded that DOTO only partially hydrolyzed in the test system and the estimated percentage of hydrolysis was 20 to 55%.
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- March 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods with acceptable restrictions
- Principles of method if other than guideline:
- Test procedure is largely consistent with OECD 111, hydrolysis as a function of pH. Breakdown products were analysed using solid state Sn NMR. Known samples of Dioctyltin oxide and Dioctyltin chloride were subjected to the same procedure and analysis and the resultant charts compared.
- GLP compliance:
- no
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Remarks:
- Solid State Tin NMR
- Positive controls:
- no
- Negative controls:
- no
- Transformation products:
- yes
- No.:
- #1
- Key result
- Remarks on result:
- other: Results provided in tables below
- Validity criteria fulfilled:
- yes
- Conclusions:
- Based on the SN NMR, the aqueous and gastric hydrolysis products of Silicic acid tetraethyl ester,dioctylstannane forms Dioctyltin Oxide and does not degrade to Dioctyltin Chloride
- Executive summary:
Silicic acid tetraethyl ester,dioctylstannane has been subjected to hydrolysis under aqueous and gastric conditions. Furthermore, know samples of dioctyltin oxide and dioctyltin chloride were subjected to hydrolysis under aqueous and gastric conditions.
The resultant hydrolysis products were collected and dried; the dried samples were analysed by SN NMR.
Comparison of the resultant charts demonstrate that Silicic acid tetraethyl ester,dioctylstannane hydrolyses to dioctyltin oxide and does not hydrolyses to dioctyltin chloride.
Referenceopen allclose all
DOTO is also a remarkably insoluble test substance. The only way it could be dissolved was by hydrolyzing it to its acetate with acetic acid. Therefore, similar to DBTO, the addition of the test substance to the acidic solution had to take place in the undissolved form.
In contrast to DBTC, the analysis of the DOTC, which is formed during the acidic hydrolysis of DOTO, with GC-FPD was not possible. Therefore, the GC-MS method after STEB ethylation was chosen for the detection of DOTC. To make sure that no unreacted DOTO would also be derivatized and analyzed, a step was foreseen in which DOTO and DOTC were to be separated by an extraction. Unfortunately, the extraction of DOTC from 0,07 N HCl with dichloromethane only yielded very low recoveries.
During the development of a method for the determination of DOTO in water for the analysis of the media used for ecotoxicity testing, some data on the acidic hydrolysis of DOTO were obtained. It was clear that particle size of the test substance had a obvious influence on the level of DOTC formed and was the likely source of the high variability between replicates. Increased temperatures higher than 37°C (up to 60°C) increased the speed of hydrolysis. Summarizing, the percentages of hydrolysis measured never exceeded 55% and were in most cases much lower (i.e., 2% and 27%).
Taking into account these various difficulties, it was decided, in consultation with the sponsor, that the end result would not be meaningful and further efforts to measure the simulated gastric hydrolysis of DOTO were terminated.
·DOTO : - 177.5 Ppm
Measurement |
1.0074g |
filter paper |
0.7960g |
After filtration and drying |
1.8004g |
Collection amount |
1.0044g |
Recovery rate |
99.7% |
·DOTC : - 46.8 Ppm
Measurement |
1.0017g |
filter paper |
0.7834g |
After filtration and drying |
1.7676g |
Collection amount |
0.9842g |
Recovery rate |
98.3% |
·S-1 : - 179.5 Ppm
Measurement |
1.1231g |
filter paper |
0.7976g |
After filtration and drying |
1.3852g |
Collection amount |
0.5876g |
Recovery rate |
52.3% |
The low recovery rate of S-1 is due to the presence of solids that decomposed solids stick to bottle and cannot be recovered
SN NMR charts attached
A. DOTO
B. DOTC
C. S-1 Hydrolysis with H2O
D. S-1 Hydrolysis with Conc. HCl
E. DOTO Hydrolysis with 0.07N HCl aq (pH1.2)
F. DOTC Hydrolysis with 0.07N HCl aq (pH1.2)
G. S-1 Hydrolysis with 0.07N aq (pH1.2)
Description of key information
Hydrolysis of the registered substance, has demonstrated that the substance degrades by hydrolysis. By means of Sn NMR it has been demonstrated that the substance hydrolyses to dioctyltin oxide (DOTO)
Key value for chemical safety assessment
Additional information
Silicic acid tetraethyl ester,dioctylstannane has been subjected to hydrolysis under aqueous and gastric conditions. Furthermore, know samples of dioctyltin oxide and dioctyltin chloride were subjected to hydrolysis under aqueous and gastric conditions.
The resultant hydrolysis products were collected and dried; the dried samples were analysed by SN NMR.
Comparison of the resultant charts demonstrate that Silicic acid tetraethyl ester,dioctylstannane hydrolyses to dioctyltin oxide and does not hydrolyses to dioctyltin chloride.
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