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EC number: 943-623-1 | 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
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- The study was conducted between 22 May 2014 and 23 August 2014.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study is considered to be a reliability 1 as it has been conducted according to OECD Test Guideline 105 using a slow stir adaptation of the flask method and in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Water solubility:
- 0.049 g/L
- Temp.:
- 20 °C
- pH:
- >= 6.6 - <= 6.9
- Details on results:
- Preliminary Test
The preliminary estimate of water solubility was 4.90E-02 g/L at 20.0 °C.
Main Test
No significant response was obtained within the retention time window of the test item in any sample matrix blanks or standard matrix blanks on analysis.
Equilibrium Preliminary Sampling
Equilibrium evident from approximately 121 hours
Vessel 1
Mean concentration: 4.93E-02 g/L at 20.0 ± 0.5 ºC
Range: 4.87E-02 to 5.02E-02 g/L
Standard deviation: 6.32E-04
Vessel 2
Mean concentration: 4.94E-02 g/L at 20.0 ± 0.5 ºC
Range: 4.89E-02 to 4.98E-02 g/L
Standard deviation: 4.05E-04
Vessel 3
Mean concentration: 4.92E-02 g/L at 20.0 ± 0.5 ºC
Range: 4.72E-02 to 5.06E-02 g/L
Standard deviation: 1.58E-03
Overall water solubility
Overall mean water solubility: 4.93E-02 g/L at 20.0 ± 0.5 ºC
Overall standard deviation: 9.18E-04
Relative standard deviation: 1.86%
Compositional information provided by the Sponsor indicated the presence of a number of isomers of the test item (2,6-dimethyl-3a-(propan-2-yl)octahydro-1-benzofuran), which in total represent the reported purity for this substance. Using this information, the calculation of the test item water solubility was calculated based on the total peak area of all peaks obtained on chromatographic analysis which were attributed to these isomers of the test item. On comparison of the relative peak/isomer responses for the test item standard and sample solutions, there was no evidence of significant selective solubility/extractivity, with all test item peaks/isomers being detected, at a similar ratio, on analysis of the water solubility sample solutions.
In the absence of any evidence of selective solubility/extractivity, it was considered unnecessary to evaluate the influence of the initial nominal loading rate on the composition of the dissolved test item fraction. - Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility of the test item was determined to be 4.93E-02 g/L of solution at 20.0 ± 0.5 °C, using a slow stir adaptation of the standard test method. On comparison of the relative peak/isomer responses for the test item standard and sample solutions, there was no evidence of significant selective solubility/extractivity, with all test item peaks/isomers being detected, at a similar ratio, on analysis of the water solubility sample solutions. - Executive summary:
The water solubility of the test substance, IFF 215 (Floraine), was determined to be 4.93E-02 g/L of solution at 20.0 ± 0.5 °C according to OECD Test Guideline 105 using a slow stir adaptation of the flask method. The test substance was therefore considered to be slightly soluble.
Reference
The mean total peak areas relating to the standard and sample solutions are shown in the following table:
Solution |
Mean Total Peak Area |
Standard solution, 208 mg/L |
1.6756 x 107 |
Standard solution, 213 mg/L |
1.7387 x 107 |
Preliminary assessment, sample 1 |
1.5996 x 107 |
Standard solution, 206 mg/L |
1.6614 x 107 |
Standard solution, 202 mg/L |
1.6095 x 107 |
Preliminary assessment, sample 2 |
1.5954 x 107 |
Standard solution, 211 mg/L |
1.6966 x 107 |
Standard solution, 208 mg/L |
1.6718 x 107 |
Preliminary assessment, sample 3 |
1.6570 x 107 |
Solution |
Mean Total Peak Area |
Standard solution, 211 mg/L |
1.6997 x 107 |
Standard solution, 208 mg/L |
1.6714 x 107 |
Definite test, vessel 1, sample 1 |
1.5897 x 107 |
Definite test, vessel 2, sample 1 |
1.6032 x 107 |
Definite test, vessel 3, sample 1 |
1.5655 x 107 |
Standard solution, 220 mg/L |
1.7853 x 107 |
Standard solution, 211 mg/L |
1.7225 x 107 |
Definite test, vessel 1, sample 2 |
1.5972 x 107 |
Definite test, vessel 2, sample 2 |
1.5999 x 107 |
Definite test, vessel 3, sample 2 |
1.5367 x 107 |
Standard solution, 236 mg/L |
1.9357 x 107 |
Standard solution, 217 mg/L |
1.7632 x 107 |
Definite test, vessel 1, sample 3 |
1.5923 x 107 |
Definite test, vessel 2, sample 3 |
1.5991 x 107 |
Definite test, vessel 3, sample 3 |
1.6417 x 107 |
Definite test, vessel 1, sample 4 |
1.6407 x 107 |
Definite test, vessel 2, sample 4 |
1.6231 x 107 |
Definite test, vessel 3, sample 4 |
1.6552 x 107 |
The concentration (g/L) of test item in the sample solutions is shown in the following tables:
Equilibrium Preliminary Sampling
Sample Number |
Stirring / Equilibration Time (hours) |
Concentration (g/L) |
Solution pH |
1 |
121 |
4.94 x 10-2 |
7.7 |
2 |
142 |
4.98 x 10-2 |
6.7 |
3 |
165 |
5.15 x 10-2 |
6.7 |
Vessel 1
Sample Number |
Stirring / Equilibration Time (hours) |
Concentration (g/L) |
Solution pH |
1 |
172 |
4.94 x 10-2 |
6.7 |
2 |
191 |
4.91 x 10-2 |
6.7 |
3 |
216 |
4.87 x 10-2 |
6.9 |
4 |
223 |
5.02 x 10-2 |
6.6 |
Vessel 2
Sample Number |
Stirring / Equilibration Time (hours) |
Concentration (g/L) |
Solution pH |
1 |
172 |
4.98x 10-2 |
6.7 |
2 |
191 |
4.91x 10-2 |
6.7 |
3 |
216 |
4.89x 10-2 |
6.9 |
4 |
223 |
4.97x 10-2 |
6.7 |
Vessel 3
Sample Number |
Stirring / Equilibration Time (hours) |
Concentration (g/L) |
Solution pH |
1 |
172 |
4.86x 10-2 |
6.7 |
2 |
191 |
4.72x 10-2 |
6.6 |
3 |
216 |
5.02x 10-2 |
6.9 |
4 |
223 |
5.06x 10-2 |
6.6 |
The overall water solubility results are summarized in the following table:
Vessel |
1 |
2 |
3 |
Mean Water Solubility (g/L at 20.0 ± 0.5 ºC) |
4.93 x 10-2 |
4.94 x 10-2 |
4.92 x 10-2 |
Standard Deviation |
6.32 x 10-4 |
4.05 x 10-4 |
1.58 x 10-3 |
Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 25 to 400 mg/L. This was satisfactory with a first order correlation coefficient of 0.9995 being obtained.
Recovery of analysis of the sample procedure was assessed and proved adequate for the test. Recovery data is shown in the following table:
Nominal Concentration (mg/L) |
Mean Recovery (%) |
Number of Replicates (n) |
Standard Deviation |
50 |
92.8 |
5 |
0.585 |
10 |
91.1 |
5 |
3.50 |
Concentrations have not been corrected for recovery of analysis.
Description of key information
The water solubility of the test substance, IFF 215 (Floraine), was determined to be 4.93E-02 g/L of solution at 20.0 ± 0.5 °C according to OECD Test Guideline 105 using a slow stir adaptation of the flask method. The test substance was therefore considered to be slightly soluble.
Key value for chemical safety assessment
- Water solubility:
- 0.049 g/L
- at the temperature of:
- 20 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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