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EC number: - | 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:
- 19 August 2010- 2 September 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Fully documented study run under GLP and according to international guidelines.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- Deionised water with TOC < 1 ppm and conductivity below 0.1 µS/cm was used (commer-cially available doubly distilled water guarantees a conductivity as large as 5 µS/cm).
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Remarks:
- The preliminary study which is proposed in the EU-Guideline was not performed, since it were known that water solubility was above 1 g/L.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Water solubility:
- >= 2.431 - <= 4.776 g/L
- Temp.:
- 20 °C
- pH:
- 5.85
- Remarks on result:
- other: Water solubility was determined for the nominal concentration of the test item in water of 6.31 – 14.73 g/L.
- Conclusions:
- Interpretation of results: soluble (1000 - 10000 mg/L)
The water solubility in the range of 2.431- 4.776 g/L for the nominal concentration of the test item in water 6.31 – 14.73 g/L.; temperature 20 ±0.5 °C. - Executive summary:
The water solubility of reaction mass of 2,2'-oxybisbutane (DSBE), DIPE, SBA and 2-methylpropan-2-ol (TBA) was measured according to OECD 105, respectively EU A.6 guideline under GLP. It was found to be dependant of the nominal concentration of the test item. A solubility in the range of 2.431 -4.776 g/L for the nominal concentration of the test item in water 6.31 – 14.73 g/L at 20 ±0.5 °C was measured.
Due to the good solubility in water of the secondary ingredients SBA and TBA in the test item, higher solubility in water could be possibly achieved, if the higher nominal concentration of the test item in water were used for the test.
Reference
The measured values of flasks 2 – 6 showed dependency of solubility on the nominal concentration of test item. This dependency is shown in the following table and graph:
Solubility vs. Nominal Concentration
Day |
Flask |
Volume added |
Nom. Concentration Test Item |
Measured TOC |
Corresponding Conc. Test Item |
% Test Item dissolved |
|
No. |
mL |
g/L |
mg/L |
g/L |
% |
13 |
2 |
0.84 |
6.31 |
1847.6 |
2.431 |
39% |
13 |
3 |
1.12 |
8.42 |
2198.4 |
2.893 |
34% |
13 |
4 |
1.40 |
10.52 |
2711.6 |
3.568 |
34% |
13 |
5 |
1.68 |
12.63 |
3630.0 |
4.776 |
38% |
13 |
6 |
1.96 |
14.73 |
3485.6 |
4.586 |
31% |
14 |
2 |
0.84 |
6.31 |
1882.4 |
2.477 |
39% |
14 |
3 |
1.12 |
8.42 |
2260.6 |
2.974 |
35% |
14 |
4 |
1.40 |
10.52 |
2849.0 |
3.749 |
36% |
14 |
5 |
1.68 |
12.63 |
3152.6 |
4.148 |
33% |
14 |
6 |
1.96 |
14.73 |
3539.8 |
4.658 |
32% |
Repetition value on day 13 showed linear correlation between added amount of test item and measured concentration. Only one value from the first measurements (flask 5, day 11) showed deviation from the measured concentration (repetition) on day 13.
Mean Solubility
The measurements of days 8 and 11 (Flask 1) were included in the calculation of the mean and presented in the following table.
Measurements used for Calculation of Solubility
Day |
Flask |
Nom. Concentration Test Item (g/L) |
Mean Conc. (g/L) |
Total Mean |
Total Stand. Dev. |
8 |
1 |
10.52 |
3.954 |
3.680 g/L |
0.825 g/L |
11 |
1 |
10.52 |
3.942 |
||
13 |
2 |
6.31 |
2.431 |
||
13 |
3 |
8.42 |
2.893 |
||
13 |
4 |
10.52 |
3.568 |
||
13 |
5 |
12.63 |
4.776 |
||
13 |
6 |
14.73 |
4.586 |
||
14 |
2 |
6.31 |
2.477 |
||
14 |
3 |
8.42 |
2.974 |
||
14 |
4 |
10.52 |
3.749 |
||
14 |
5 |
12.63 |
4.148 |
||
14 |
6 |
14.73 |
4.658 |
The concentration of reaction mass of 2,2'-oxybisbutane (DSBE), DIPE,SBA and 2-methylpropan-2-ol (TBA) in water lay in the range of 2.431 and 4.776 g/L for the nominal concentration of the test item 6.31 – 14.73 g/L.
Description of key information
The water solubility of reaction mass of 2,2'-oxybisbutane (DSBE), DIPE, SBA and 2-methylpropan-2-ol (TBA) was found to be dependant of the nominal concentration of the test item. A solubility in the range of 2.431 - 4.776 g/L for the nominal concentration of the test item in water 6.31 – 14.73 g/L at 20 ±0.5 °C was measured.
Key value for chemical safety assessment
- Water solubility:
- 4.776 g/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of reaction mass of 2,2'-oxybisbutane (DSBE), DIPE, SBA and 2-methylpropan-2-ol (TBA) was measured according to OECD 105, respectively EU A.6 guideline under GLP. The solubility was found to be dependant of the nominal concentration of the test item. A solubility in the range of 2.431 - 4.776 g/L for the nominal concentration of the test item in water 6.31 – 14.73 g/L at 20 ±0.5 °C was measured.
Due to the good solubility in water of the secondary ingredients SBA (125 g/L, (1)) and TBA (1000 g/L, (2)) in the test item, higher solubility in water could be possibly achieved, if the higher nominal concentration of the test item in water were used for the test. The solubilities of DIPE and DSBE are considerably lower than those of SBA and TBA (DIPE: 3110 mg/L, (3); DSBE: 327 mg/L, (4)).
References:
(1) Beilstein – Handbuch der organischen Chemie
(2) Riddick, J.A., Bunger, W.B., Sakano, Th.K.: Techniques of chemistry, Volume II, Organic Solvents, p. 478, 4th ed., J. Wiley & Sons, N.Y.1986
(3) Maczynski, A., Shaw, D.G., Góral, M., Wisniewska-Goclowska, B. (2008) IUPAC-NIST Solubility Data Series. 86. Ethers and Ketones with Water. Part 2. C6 Ethers with Water. J. Phys.Chem. Ref. Data, 2008, 37(2), 1147-1168
(4) Estimation Program Interface (EPI) Suite,2000-2009, U.S. Environmental Protection Agency (see HPV-report)
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