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EC number: 210-694-9 | CAS number: 621-59-0
- 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:
- From June 9th to October 7th, 2016.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- 2.27 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- >= 5.85 - <= 5.87
- Details on results:
- Solubility of the test item in distilled water is 0.019 ± 0.005 mg/L at pH = 6.04 - 6.08.
- Conclusions:
- Solubility of the test item at 20 ± 0.5 ºC and at pH ranging 5.85 - 5.87 in water is 2.27 g/L.
- Executive summary:
The study of the water solubility of the test item was performed by the column elution method, according to OECD 105 / EU Method A.6 (GLP study). The test item was dissolved in acetone and added to inert support material. Then, the solvent was evaporated, and the loaded support material was soaked for 2h in 5 ml of water. This suspension was added to a micro-column and the test item was eluted until the concentration reached a plateau. The mass concentration of the eluate at this time was determined by UV-VIS spectrophotometry, and taken as the water solubility value. Based on the test results, the solubility of the test item in water was found to be 2.27 g/L, at 20 ± 0.5 ºC and at pH 5.85 - 5.87.
Reference
Table 1. Results of the preliminary test
0.1 g in x mL of water |
0.1 |
0.5 |
1 |
2 |
10 |
100 |
Soluble (+/-) |
- |
- |
- |
- |
- |
+ |
Approximate solubility, |
> 1000 |
1000 |
200 |
100 |
50 |
10 1 |
Table 2. Calibration solution.
Day |
Weight (mg) |
Dilution (mL) |
Cw (mg/mL) |
Peak area |
Average peak area Aw |
f |
Average f |
|
1 |
16.4 |
25-1-25-1-10-2-5 |
0.00104 |
329530 |
329074 |
329302.0 |
0.000032 |
0.000032 |
25-1-25-1-10 |
0.00261 |
805247 |
808452 |
806849.5 |
0.000032 |
|||
2 |
16.4 |
25-1-25-1-10-2-5 |
0.00104 |
321395 |
323271 |
322333.0 |
0.000032 |
0.000032 |
25-1-25-1-10-2-5 |
0.00052 |
163492 |
163777 |
163634.5 |
0.000032 |
|||
3 |
16.4 |
25-1-25-1-10-2-5 |
0.00104 |
322821 |
322423 |
322622.0 |
0.000032 |
0.000032 |
25-1-25-1-10 |
0.00052 |
166660 |
167401 |
167030.5 |
0.000031 |
Table 3. Study solution in water.
Sample day /flask |
Weight (mg) |
Dilution (mL) |
Cp (mg/mL) |
Peak area |
Average peak area Ap |
X (g/kg) |
||
1 |
1 |
100.9 |
25-1-10 |
0.4036 |
289107 |
287052 |
288079.5 |
2.30 |
2 |
100.9 |
0.4036 |
297654 |
301079 |
299366.5 |
2.39 |
||
2 |
3 |
101.35 |
25-1-10 |
0.4054 |
280937 |
282555 |
281746 |
2.25 |
4 |
99.9 |
0.3996 |
300353 |
296649 |
298501 |
2.41 |
||
3 |
5 |
103.8 |
25-1-10 |
0.4152 |
276758 |
277552 |
277155 |
2.13 |
6 |
102.3 |
0.4092 |
275598 |
275211 |
275404.5 |
2.15 |
Table 4. Results of test item solubility in water.
Mixing time at 30ºC (days, flasks) |
1 |
2 |
3 |
|||
Samples |
1 |
2 |
3 |
4 |
5 |
6 |
Temperature, ºC |
20.2 |
20.0 |
20.0 |
|||
pH |
5.85 |
5.87 |
5.87 |
|||
Concentration of Isovanillin, g/kg |
2.30 |
2.39 |
2.25 |
2.41 |
2.13 |
2.15 |
Average concentration of isovanillin, g/kg |
2.35 |
2.33 |
2.14 |
|||
Average |
2.27 |
The solubility of isovanillin in water was 2.27 g/kg. The density of the solution is about 1 kg/L (about water density). After recalculation, the solubility of isovanillin in water is 2.27 g/L.
Description of key information
Key study. Method according to OECD 105 / EU Method A.6 (column elution method), GLP study. The solubility of the test item in water, at 20 ± 0.5 ºC and at pH ranging 5.85 - 5.87, is 2.27 g/L.
Key value for chemical safety assessment
- Water solubility:
- 2.27 g/L
- at the temperature of:
- 20 °C
Additional information
The study of the water solubility of the test item was performed
by the column elution method, according to OECD 105 / EU Method A.6 (GLP
study). The test item was dissolved in acetone and added to inert
support material. Then, the solvent was evaporated, and the loaded
support material was soaked for 2h in 5 ml of water. This suspension was
added to a micro-column and the test item was eluted until the
concentration reached a plateau. The mass concentration of the eluate at
this time was determined by UV-VIS spectrophotometry, and taken as the
water solubility value. Based on the test results, the solubility of the
test item in water was found to be 2.27g/L, at 20 ± 0.5 ºC and at
pH 5.85 - 5.87.
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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