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EC number: 223-384-3 | CAS number: 3865-34-7
- 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:
- key study
- Study period:
- 21 September 2016 to 07 November 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- no
- Remarks:
- (this is not a toxicological or ecotoxicological test)
- Radiolabelling:
- not specified
- Analytical monitoring:
- yes
- Details on sampling:
- Sample preparation: 370 µL/ 330 µL toluene-d8 (10 mg/mL CrAcAc)
- Buffers:
- pH 1.2: HCl 0.1 M
pH 4.0: HCl/NaCl/Citric acid
pH 7.0: Na2HPO4/NaH2PO4
pH 9.0: H3BO3/KCl/NaOH - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: 250 mL Erlenmeyer flask with ground in stopper
HIGH PH TESTING (pH 4.0, 7.0, 9.0)
- The test material was used without a co-solvent or a detergent.
- 1 g (1.4 mMol) of the test material was added to 100 mL of the respective buffer solution in a 250 mL Erlenmeyer flask.
- The flask was closed with a stopper and heated in a heating cabinet for 5 days (120 hours) at 50 °C.
- The mixture was stirred by a magnetic stirrer using a 40 x 7 mm stir bar at approx. 100 rpm.
- After the pre-determined reaction time, the solution was allowed to cool down to room temperature; 10 mL of each reaction mixture was taken by a syringe and placed in a headspace glass for TOC analysis. The rest of each reaction mixture was extracted with 20 mL hexane, the phases were separated using a separatory funnel. The organic phase was transferred into a pre-weighed flask and the solvent was removed in a rotary evaporator (< 40°C, 10 mbar). The weight difference was recorded for the mass balance, and the samples were analysed by 119Sn-NMR.
GASTRIC PH TESTING (pH 1.2/ 37 °C)
- The test material was used without a co-solvent or a detergent.
- 1 g (1.4 mMol) of the test material was added to 100 mL of 0.1 M aqueous solution of hydrochloric acid that was preheated to 37 °C in a 250 mL Erlenmeyer flask with ground in stopper.
- The flask was closed with a stopper and heated on a heating cabinet for 4 hours at 37 °C.
- The mixture was stirred by a magnetic stirrer using a 40 x 7 mm stir bar at approximately 100 rpm.
- After the pre-determined exposure time, the solution was allowed to cool down to room temperature; extracted 2 times with 25 mL hexane; the phases were separated using a separatory funnel. The organic phase was transferred into flask, and the solvent was removed in a rotary evaporator (< 40°C, 10 mbar). The sample was analysed by 119Sn-NMR. - Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 100 other: %
- Remarks:
- The test material was used without a solvent.
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 100 other: %
- Remarks:
- The test material was used without a solvent.
- Duration:
- 5 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 100 other: %
- Remarks:
- The test material was used without a solvent.
- Duration:
- 4 h
- pH:
- 1.2
- Temp.:
- 37 °C
- Initial conc. measured:
- 100 other: %
- Remarks:
- The test material was used without a solvent.
- Number of replicates:
- 1
- Positive controls:
- no
- Negative controls:
- no
- Transformation products:
- not specified
- Remarks:
- The oleic acid ligand is hydrolysed from the tin atom and the remaining dimethyltin fragment forms a water soluble breakdown product.
- % Recovery:
- 78
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 5 d
- % Recovery:
- 20
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 5 d
- Remarks on result:
- other: Due to a greasy phase surface, the organic phase was mistakenly disposed of together with the aqueous phase. So this value cannot be considered as meaningful.
- % Recovery:
- 85
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 5 d
- Remarks on result:
- other: The values is negatively impacted by a greasy phase surface
- Key result
- pH:
- 4
- Temp.:
- 50 °C
- DT50:
- > 1 yr
- Details on results:
- HYDROLYSIS AT PH 4,7 AND 9
- At pH 4 the 119Sn-NMR spectra of the extracted reaction products shows no signs of hydrolysis, whereas at pH 7 and to a greater extent at pH 9, new signals in the 119Sn-NMR spectra indicate the breakdown of the substance.
- The half-life time of the test material under the conditions of the study is > 1 year for the pH value 4 the substance can considered as hydrolytically stable.
- At pH 7 and 9 two signals appear at -187 and – 207 ppm in the 119Sn-NMR spectra of the extracted hydrolysate which can be attributed to the formation of a dimeric tetramethyl distannoxane structure. Those structures are formed following a stepwise hydrolysis of initially formed diorganotin hydroxides.
HYDROLYSIS AT PH 1.2
- The 119Sn-NMR spectrum of the organic extract shows no signal between 200 and -800 ppm.
- The 1H-NMR spectrum of the hexane extract is identical with the reference spectrum of oleic acid.
- The recovered mass of 0.79 g corresponds to 100 % of oleic acid (M = 282.46 Da) bound as ligand in the test material.
- It can be concluded that under the conditions of the study the oleic acid ligand is hydrolysed from the tin atom and the remaining dimethyltin fragment forms a water soluble breakdown product.
MASS BALANCE RECOVERY RATES
pH 4: 78 %
pH 7: 20 %
pH 9: 85 %
pH 1.2: 79 %
ATOMIC ABSORPTION SPECTOMETRY
- The aqueous phase of the low pH hydrolysis was analysed after extraction with hexane by AAS and contained 1530 mg/L Sn (92% of Theory). - Validity criteria fulfilled:
- not specified
- Conclusions:
- Under the conditions of this study, the test material was is hydrolytically stable at pH 4. After 5 days of hydrolysis at 50°C less than 10% of the test material was hydrolysed (half life at 25°C > 1 year). At pH 7 and to a greater extend at pH 9, the test material was found to break down to a dimeric dimethyl distannoxane.
At simulated gastric conditions (0.1 M HCl /pH 1.2 /37°C/ 4 h) the only identifiable breakdown product was the ligand oleic acid, which was extracted in the hexane phase and identified by 1H-NMR spectroscopy. The lower recovery of test material in the hexane extract and the content of 1530 mg/L tin remaining in the aqueous phase indicate that the remaining dimethyltin fragment remains in a soluble form in water. - Executive summary:
The hydrolysis of the test material as a function of pH was investigated in accordance with the standardised guidelines OECD 111 and EU Method C.7.
The stability of the test material was investigated at pH 4, 7 and 9 and pH 1.2 using NMR spectroscopy.
Under the conditions of this study, the test material was is hydrolytically stable at pH 4. After 5 days of hydrolysis at 50 °C less than 10 % of the test material was hydrolysed (half life at 25 °C > 1 year). At pH 7 and to a greater extend at pH 9, the test material was found to break down to a dimeric dimethyl distannoxane.
At simulated gastric conditions (0.1 M HCl /pH 1.2 /37 °C/ 4 h) the only identifiable breakdown product was the ligand oleic acid, which was extracted in the hexane phase and identified by 1H-NMR spectroscopy. The lower recovery of test material in the hexane extract and the content of 1530 mg/L tin remaining in the aqueous phase indicate that the remaining dimethyltin fragment remains in a soluble form in water.
Reference
Description of key information
Under the conditions of this study, the test material was is hydrolytically stable at pH 4. After 5 days of hydrolysis at 50°C less than 10% of the test material was hydrolysed (half life at 25°C > 1 year). At pH 7 and to a greater extend at pH 9, the test material was found to break down to a dimeric dimethyl distannoxane.
At simulated gastric conditions (0.1 M HCl /pH 1.2 /37°C/ 4 h) the only identifiable breakdown product was the ligand oleic acid, which was extracted in the hexane phase and identified by 1H-NMR spectroscopy. The lower recovery of test material in the hexane extract and the content of 1530 mg/L tin remaining in the aqueous phase indicate that the remaining dimethyltin fragment remains in a soluble form in water.
Key value for chemical safety assessment
Additional information
The hydrolysis of the test material as a function of pH was investigated in accordance with the standardised guidelines OECD 111 and EU Method C.7. The study was awarded a reliability score of 2 in accordance with the criteria set forth by Klimisch et al. (1997).
The stability of the test material was investigated at pH 4, 7 and 9 and pH 1.2 using NMR spectroscopy.
Under the conditions of this study, the test material was is hydrolytically stable at pH 4. After 5 days of hydrolysis at 50°C less than 10% of the test material was hydrolysed (half life at 25°C > 1 year). At pH 7 and to a greater extend at pH 9, the test material was found to break down to a dimeric dimethyl distannoxane.
At simulated gastric conditions (0.1 M HCl /pH 1.2 /37°C/ 4 h) the only identifiable breakdown product was the ligand oleic acid, which was extracted in the hexane phase and identified by 1H-NMR spectroscopy. The lower recovery of test material in the hexane extract and the content of 1530 mg/L tin remaining in the aqueous phase indicate that the remaining dimethyltin fragment remains in a soluble form in water.
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