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EC number: 947-865-9 | 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- supporting 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)
- 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
- 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 (1.1 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 (1.1 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 in 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:
- yes
- Remarks:
- Dioctyltin chloro lauryl-myristyl thioglycolate (DOTC-LMTG) the monochloroester of the test material.
- % Recovery:
- 99
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 5 d
- % Recovery:
- 98
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 5 d
- % Recovery:
- 91
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 5 d
- % Recovery:
- 98
- pH:
- 1.2
- Temp.:
- 37 °C
- Duration:
- 4 h
- Key result
- Remarks on result:
- hydrolytically stable based on preliminary test
- Remarks:
- at pH 4 and 7
- Details on results:
- HYDROLYSIS AT pH 4, 7 AND 9
- The unhydrolysed test material was characterised by a single signal at 76 ppm. Although the test material is composed of two constituents, the difference in the alkylchains of the ligands does not influence the chemical shift of the central tin-atom.
- At pH 4 and 7 the 119Sn-NMR spectra was not different compared to the unhydrolised test material.
- The pH 9 spectrum of the extracted hydrolysate shows a significant decrease of the product peak at 76 ppm (10 Mol%) and a sharp peak appears at -45 ppm (90Mol%)
- -45 ppm is a characteristic chemical shift for DOTTG, which can be formed by initial hydrolysis of one ligand and and a subsequent nucleophilic attack of the ester function of the second thioglycolate ligand leading to a ring closure to DOTTG.
HYDROLYSIS AT pH 1.2
- The 119Sn-NMR spectrum of the organic extract the substance signal decreased to 27 Mol% in intensity.
- An additional broad peak appeared at 32 ppm (72 Mol%).
- The new peak can be attributed to the dioctyltin chloro lauryl-myristyl thioglycolate (DOTC-LMTG) the monochloroester of the test material. This hydrolytical behaviour is well known from other dialkyltin thioglycolates.
- No DOTC was formed under the conditions of the study
MASS BALANCE RECOVERY RATES
pH 4: 99 %
pH 7: 98 %
pH 9: 91 %
pH 1.2: 98 %
ATOMIC ABSORPTION SPECTOMETRY
- The aqueous phase of the low pH hydrolysis has been analysed after extraction with hexane by AAS and contained < 5mg/L Sn. So the formation of an organotin substance better soluble in water than in hexane can be excluded. - Validity criteria fulfilled:
- not specified
- Conclusions:
- The test material can be considered hydrolytically stable at pH 4 and 7. After 5 days of hydrolysis at 50 °C at pH 4 and 7 no reaction could be identified based on the 119Sn NMR spectra of the extracted hydrolysates.
At pH 9 under the same conditions the DOTTG formed was the only breakdown product.
Under simulated gastric conditions the test material was found to break down to its monochloroester, dioctyltin chloro laurylmyritylthioglycolate.
The formation of DOTC can be excluded.
The tin content in the aqueous phase of the hydrolysis remained under the detection limit of < 5 mg/L in AAS, thus the formation of a water soluble organotin species can be excluded. - 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 the study, the test material was considered hydrolytically stable at pH 4 and 7. After 5 days of hydrolysis at 50 °C at pH 4 and 7 no reaction could be identified based on the 119Sn NMR spectra of the extracted hydrolysates.
At pH 9 under the same conditions DOTTG was formed and was considered to be the only breakdown product.
Under simulated gastric conditions the test material was found to break down to its monochloroester, dioctyltin chloro laurylmyritylthioglycolate.
The formation of DOTC can be excluded.
The tin content in the aqueous phase of the hydrolysis remained under the detection limit of < 5 mg/L in AAS, thus the formation of a water soluble organotin species can be excluded.
Reference
Description of key information
The test material can be considered hydrolytically stable at pH 4 and 7. After 5 days of hydrolysis at 50 °C at pH 4 and 7 no reaction could be identified based on the 119Sn NMR spectra of the extracted hydrolysates.
At pH 9 under the same conditions the DOTTG formed was considered to be the only breakdown product.
Under simulated gastric conditions the test material was found to break down to its monochloroester, dioctyltin chloro laurylmyritylthioglycolate.
The formation of DOTC can be excluded.
The tin content in the aqueous phase of the hydrolysis remained under the detection limit of < 5 mg/L in AAS, thus the formation of a water soluble organotin species can be excluded.
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 the study, the test material was considered hydrolytically stable at pH 4 and 7. After 5 days of hydrolysis at 50 °C at pH 4 and 7 no reaction could be identified based on the 119Sn NMR spectra of the extracted hydrolysates.
At pH 9 under the same conditions DOTTG was formed and was considered to be the only breakdown product.
Under simulated gastric conditions the test material was found to break down to its monochloroester, dioctyltin chloro laurylmyritylthioglycolate.
The formation of DOTC can be excluded.
The tin content in the aqueous phase of the hydrolysis remained under the detection limit of < 5 mg/L in AAS, thus the formation of a water soluble organotin species can be excluded.
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