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EC number: 925-425-7 | 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
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- May 12 - September 26, 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: the slow stirring experiment method
Test material
- Reference substance name:
- [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate
- EC Number:
- 260-555-1
- EC Name:
- [1R-(1α,2α,5β,8β)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate
- Cas Number:
- 57082-24-3
- Molecular formula:
- C17H28O2
- IUPAC Name:
- 4,4,8-trimethyltricyclo[6.3.1.0~2,5~]dodec-1-yl acetate
- Reference substance name:
- 1-((1S,2S,5R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodec-8-en-9-yl)ethan-1-one
- Molecular formula:
- C17H26O
- IUPAC Name:
- 1-((1S,2S,5R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodec-8-en-9-yl)ethan-1-one
- Reference substance name:
- (3S,3aS,7R,9aS)-1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl acetate
- Cas Number:
- 77346-43-1
- Molecular formula:
- C17H28O2
- IUPAC Name:
- (3S,3aS,7R,9aS)-1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-yl acetate
- Reference substance name:
- 1-((1S,2S,5R,9S)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodec-7-en-9-yl)ethan-1-one
- Cas Number:
- Not applicable
- Molecular formula:
- C17H26O
- IUPAC Name:
- 1-((1S,2S,5R,9S)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodec-7-en-9-yl)ethan-1-one
- Reference substance name:
- 4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-ol
- EC Number:
- 207-458-2
- EC Name:
- 4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-ol
- Cas Number:
- 472-97-9
- Molecular formula:
- C15H26O
- IUPAC Name:
- 4,4,8-trimethyltricyclo[6.3.1.0~2,5~]dodecan-1-ol
- Reference substance name:
- (3S,3aS,7R,9aS)-1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-ol
- Cas Number:
- 62560-57-0
- Molecular formula:
- C15H26O
- IUPAC Name:
- (3S,3aS,7R,9aS)-1,1,7-trimethyldecahydro-3a,7-methanocyclopenta[8]annulen-3-ol
- Reference substance name:
- 2,2,4,7a-tetramethyl-1,2,3,6,7,7a-hexahydro-1,3a-ethanoindene
- Cas Number:
- 4545-68-0
- Molecular formula:
- C15H24
- IUPAC Name:
- 2,2,4,7a-tetramethyl-1,2,3,6,7,7a-hexahydro-1,3a-ethanoindene
- Reference substance name:
- not applicable
- Cas Number:
- not applicable
- Molecular formula:
- not applicable
- IUPAC Name:
- not applicable
- Test material form:
- liquid
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Constituent 5
Constituent 6
Constituent 7
Constituent 8
- Specific details on test material used for the study:
- Name (as stated in the report): VETYNAL
Batch: VE00473596
Expiration date: March 05, 2019
Results and discussion
Water solubilityopen allclose all
- Key result
- Water solubility:
- 0.981 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 48 h
- Temp.:
- 20 °C
- pH:
- 5.51
- Remarks on result:
- other: loading rate 118 to 132 mg test item/L
- Water solubility:
- 0.598 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 48 h
- Temp.:
- 20 °C
- pH:
- 5.49
- Remarks on result:
- other: loading rate of 13 to 15 mg test item/L
- Details on results:
- The determination of the water solubility of VETYNAL was performed based on the OECD Guideline for the Testing of Chemicals, No. 105: Water Solubility, and adapted to a slow stirring design for test items which could form an emulsion due to their physical properties.
After a stirring time of 24 hours, 48 hours and 72 hours at 30 °C, the samples were equilibrated for another 24 hours at 20 °C. Afterwards, the samples were taken through a tap at the bottom of the flask, extracted with internal standard solution and analyzed by GC with FID detection.
According to the test guideline, the result found after a defined incubation time should not differ by more than 15 % from the result found after a shorter incubation time. The concentrations measured after 72 hours did not exceed by more than 15 % the concentration measured after an
incubation time of 48 hours for both loading rates. The acceptance criterium was thereforefulfilled and the saturation was achieved after 48 hours. The study is therefore valid.
For the loading rate of 13 to 15 mg test item/L, the water solubility of VETYNAL at 20 °C was
found to be 0.598 ± 0.050 mg/L, at a mean pH value of 5.49.
For the loading rate 118 to 132 mg test item/L, the water solubility of VETYNAL at 20 °C was 0.981 ± 0.057 mg/L, at mean pH value of 5.51.
The results of the measurements are given in Table 2. The tabulated values represent rounded results, obtained by calculation using the exact raw data. The test item gave a chromatographic profile consisting of several peaks, thereof two main peaks representing more than 75 % of the total test item area. Since the test item is a complex mixture of several constituents with different solubilities influencing each others, the measured water solubility has to be seen as an approximation. The number of peaks in the chromatograms increased with increasing stirring times and loading rate. It was not part of this study to determine whether these peaks are degradation products or impurities. These peaks were not used for the calculation of the water solubility.
The calibration solutions were verified by a second weighing and dilution into the calibration curve at levels of 2.66 and 24.5 mg/L. Analysis of these solutions gave recoveries of 101 % and 105 % compared to the nominal values.
The extraction method was tested under IES non-GLP study number 20170073. The method led to recoveries of 106 % and 101 % compared to the nominal values (0.109 mg test item /L).
Applicant's summary and conclusion
- Conclusions:
- During this study, the water solubility of VETYNAL was determined at 20 °C for two loading rates using OECD Guideline for the Testing of Chemicals, No. 105 adapted to a slow stirring design.
For a VETYNAL loading rate of 13 to 15 mg/L, the water solubility was found to be 0.598 ± 0.050 mg/L.
For a VETYNAL loading rate of 118 to 132 mg/L, the water solubility was found to be 0.981 ± 0.057 mg/L.
Since the test item is a complex mixture of several constituents with different solubilities influencing each others, the measured water solubility has to be seen as an approximation. - Executive summary:
During this study the water solubility of VETYNAL was determined based on the OECD Guideline for the Testing of Chemicals, No. 105: Water Solubility, modified to a slow-stirring test design.
VETYNAL is a complex mixture of several constituents. The test item gave a chromatographic profile consisting of several peaks, thereof two representing more than 75 % of the test item (area %). The calculations were based on the sum of these two peaks.
For a VETYNAL loading rate of 13 to 15 mg/L, the water solubility was found to be 0.598 ± 0.050 mg/L.
For a VETYNAL loading rate of 118 to 132 mg/L, the water solubility was found to be 0.981 ± 0.057 mg/L.
Since the test item is a mixture of several constituents with different solubilities, the results should be regarded as an approximated value.
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