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EC number: 270-064-4 | CAS number: 68409-80-3
- 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:
- 2019-01-18 to 2019-02-18
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- yes
- Remarks:
- Three vessels were set up in a parallel design, each vessel was sampled several times instead of sampling one vessel at every point in time/ exclusion of O2 and CO2, under inert gas (argon)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 2008
- Deviations:
- yes
- Remarks:
- Three vessels were set up in a parallel design, each vessel was sampled several times instead of sampling one vessel at every point in time/ exclusion of O2 and CO2, under inert gas (argon)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- 2016-05-31
- Type of method:
- flask method
- Specific details on test material used for the study:
- Appearance: yellow brown highly viscous sticky solid
Storage conditions: Keep in a well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Observe label precautions. Do not store in heat or direct sunlight. - Key result
- Water solubility:
- 323 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Loading of aqueous phase:
- 1 g/L
- Incubation duration:
- >= 23 - <= 24 d
- Temp.:
- 20 °C
- pH:
- >= 8.51 - <= 8.96
- Remarks on result:
- other: S.D: ± 59 mg/L
- Remarks:
- Calculated on a mean dissolved calcium concentration of 21.9 ± 4.0 mg/L and a calcium content of 6.8 %.
- Water solubility:
- 21.9 mg/L
- Conc. based on:
- element
- Remarks:
- Ca
- Loading of aqueous phase:
- 1 other: g test item /L
- Incubation duration:
- >= 23 - <= 24 d
- Temp.:
- 20 °C
- pH:
- >= 8.51 - <= 8.96
- Remarks on result:
- other: S.D: ± 4.0 mg/L
- Details on results:
- - Observations: During the test the substance adhered to the sample boat and after 22 days a slight layer (probably organic parts) was observed on the surface of the test solutions. Sample boats were transferred inside the test vessels prior to start. For the method blank vessels, blank sample boats were added to the ultrapure water.
- Mean temperatur: 20.3 ± 0.1 °C and 20.1 ± 0.1 °C
- Oxygen: Almost no oxygen was detectable (– 0.2 – 2.3 %)
- Turbidity: < 1 NTU indicating that filtered solutions did not contain any undissolved material
- Subtraction of method blanks is not needed because the calcium concentrations in method blanks (< 0.021 mg/L) were far below concentrations in actual samples (6.5 mg/L - 26.9 mg/L).
- The variation of the mean dissolved calcium concentration of sampling days 23, 24 is less than 15 % and an increasing trend was not observed, therefore the requirements of the OECD 105 were fulfilled. - Conclusions:
- Under the conditions of this test (under exclusion of CO2 and O2, under inert gas; flask method; loadings of 1020, 987.8 and 1079 mg/L test substance in triplicate vessels, a solubility equilibrium was observed during testing. No increasing trend in calcium concentrations after 22 days was observed. The mean measured amount of dissolved calcium at 20.0 ± 1.0 °C is 21.9 ± 4.0 mg/L (determined as dissolved calcium on days 23 and 24 separated by filtration from undissolved test item). This corresponds to a test item water solubility of 323 ± 59 mg/L, calculated on a calcium content of 6.8 %.
The pH of test solutions remained within 8.3 and 9.2. The pH of method blanks ranged between 5.4 – 7.6.
Reference
ICP-OES measurement (series on January 24, 2019) with corresponding LOD/LOQ, correlation coefficient and sum of quality assurance samples and recovery.
Calibration [µg/L] – lowest and highest calibration point |
Chosen wavelength [nm] |
LOD |
LOQ |
Correlation coefficient |
Sum of quality assurance samples |
Recovery of quality assurance samples [%] |
January 24, 2019; measurement of samples and method blanks (days 1, 2, 3). Samples a, b from vessel 5 after 3 days are above calibration range. Repeated at February 01, 2019. |
||||||
2.5 – 1000 (total of 13 calibration points, 12 used + blank) |
396.847 |
0.078 |
0.233 |
0.99997 |
27 |
92.6 |
February 01, 2019; measurement of samples and method blanks (days 8, 9, 10). Repeated measurement of samples a, b from vessel 5 after 3 days. |
||||||
2.5 – 1000 (total of 13 calibration points, 12 used + blank) |
422.673 |
0.317 |
0.952 |
0.99999 |
19 |
94.7 |
February 18, 2019; measurement of samples and method blanks (days 22, 23, 24). |
||||||
2.5 – 1000 (total of 13 calibration points, 12 used + blank) |
183.944 |
1.30 |
3.90 |
0.99993 |
19 |
100 |
Recovery/validation data copper of measurement series
Element Ca |
Recovery [%] |
SD [%] |
n (total) |
n (valid) |
January 24, 2019 |
||||
Recalibration standard 25 µg/L |
103 |
7 |
6# |
5# |
Quality control standard (Roth) 50 µg/L |
98.3 |
0.9 |
6$ |
5$ |
Recalibration standard 250 µg/L |
97.0 |
0.5 |
6 |
5 |
Quality control standard (Roth) 500 µg/L |
98.8 |
0.9 |
6 |
6 |
February 01, 2019 |
||||
Quality control standard (Roth) 75 µg/L |
100 |
1 |
4 |
4 |
LGC6019 (dilution factor 1000), nominal value Cu: 109 mg/L – diluted 109 µg/L |
106² |
1² |
4² |
3² |
Recalibration standard 250 µg/L |
98.2 |
0.7 |
4 |
4 |
Quality control standard (Roth) 750 µg/L |
96.9 |
0.3 |
4 |
4 |
February 18, 2019 |
||||
Quality control standard (Roth) 75 µg/L |
98.9 |
1.3 |
4 |
4 |
LGC6019 (dilution factor 1000), nominal value Cu: 109 mg/L – diluted 109 µg/L |
104 |
1 |
4 |
4 |
Recalibration standard 250 µg/L |
98.5 |
0.7 |
4 |
4 |
Quality control standard (Roth) 750 µg/L |
99.3 |
0.4 |
4 |
4 |
# Recovery of one sample is at 118 % and therefore not within the limits of 100 ± 15 %. This is not critical because 92.6 % of all QA/QC samples are within these limits.
$ Recovery of one sample is at 1549 % and therefore not within the limits of 100 ± 15 %. A reason for this is not known, might be a contamination. Therefore, this recovery is not included in calculation. This is not critical because 92.6 % of all QA/QC samples are within these limits.
² Probable contamination of one sample because Ca concentration is above detector maximum. Therefore, this sample is excluded from calculation of recovery.
Selected samples were fortified with known amounts of calcium (by standard addition of commercial standard) to determine the standard recoveries of this element.
Fortification of measurement series
Sample |
Element |
Measured concentration [µg/L] |
Calculated level after addition [µg/L] |
Recovery |
January 24, 2019 |
||||
Vessel 3 sample a 1d (19Y0175, dilution 10-fold) – 1 mL sample 4 mL 500 µg/L standard |
Ca |
718 |
544 |
536/98.7 |
Vessel 5 sample a 2d (19Y0195, dilution 10-fold) – 1 mL sample 4 mL 750 µg/L standard |
Ca |
974 |
795 |
778/97.9 |
Vessel 3 sample a 3d (dilution 10-fold) – 1 mL sample 4 mL 1000 µg/L standard |
Ca |
931 |
986 |
975/98.9 |
February 01, 2019 |
||||
Vessel 3 sample a 8d (19Y0227, dilution 20-fold) – 1 mL sample 4 mL 750 µg/L standard |
Ca |
605 |
721 |
722/100 |
Vessel 4 sample a 9d (19Y0239, dilution 20-fold) – 1 mL sample 4 mL 1000 µg/L standard |
Ca |
461 |
892 |
891/99.8 |
Vessel 5 sample a 10d (19Y0251, dilution 20-fold) – 1 mL sample 4 mL 750 µg/L standard |
Ca |
693 |
739 |
746/101 |
February 18, 2019 |
||||
Vessel 3 sample a 22d (19Y0471, dilution 20-fold) –1 mL sample 4 mL 750 µg/L standard |
Ca |
227 |
645 |
661/102 |
Vessel 4 sample a 23d (19Y0483, dilution 20-fold) – 1 mL sample 4 mL 500 µg/L standard |
Ca |
189 |
438 |
441/101 |
Vessel 5 sample a 24d (19Y0495, dilution 20-fold) – 1 mL sample 4 mL 1000 µg/L standard |
Ca |
218 |
844 |
858/102 |
The determination of the water solubility of Fatty acids, C6-19-branched, calcium saltsis based on mean dissolved Ca concentrations of sampling days (23, 24 d) and a calcium amount of 6.8 % in the test item
Calculation of water solubility according to calcium (6.8 %). (3, 4, 5 – triplicate vessels; a, b – duplicate samples).
Ca conc. [mg/L] |
Mean Ca conc. [mg/L] |
SD [mg/L] |
mean Ca all samples [mg/L] |
SD [mg/L] | Ca in test item [%] | Calculated amount of test item dissolved on Basis of Ca (6.8 %) [mg/L] | Mean dissolved test item [mg/L] | SD [mg/L] | mean all samples [mg/L] | SD [mg/L] | |
3a d23 | 26.3 | 26.5 |
0.5 |
21.9 |
4.0 |
6.8 |
386 |
389 |
7 |
323 |
59 |
3b d23 |
26.8 |
394 |
|||||||||
3a d24 |
25.9 |
381 |
|||||||||
3b d24 |
26.9 |
395 |
|||||||||
4a d23 |
18.9 |
17.4 |
2.1 |
279 |
256 |
30 |
|||||
4b d23 |
19.3 |
283 |
|||||||||
4a d24 |
16.7 |
245 |
|||||||||
4b d24 |
14.9 |
218 |
|||||||||
5a d23 |
22.1 |
21.9 |
0.2 |
326 |
322 |
2 |
|||||
5b d23 |
21.8 |
321 |
|||||||||
5a d24 |
21.8 |
320 |
|||||||||
5b d24 |
21.9 |
323 |
Mean Ca concentrations:
Vessel 3: 26.5 ± 0.5 mg/L
Vessel 4: 21.9 ± 2.0 mg/L
Vessel 5: 19.5 ± 0.1 mg/L
Mean: 21.9 ± 4.0 mg/L
Water solubility of Fatty acids, C6-19-branched, calcium salts is calculated: Mean of concentration x 100 % / 6.8 %:
Vessel 3: 389.3 ± 6.9 mg/L
Vessel 4: 322.1 ± 30 mg/L
Vessel 5: 287.1 ± 2.1 mg/L
Mean: 322.7 ± 58.9 mg/ L
Description of key information
Fatty acids, C6-19-branched, calcium salts has a water solubility of 323 ± 59 mg/L at 20 °C.
Key value for chemical safety assessment
- Water solubility:
- 323 mg/L
- at the temperature of:
- 20 °C
Additional information
Under the conditions of this test (under exclusion of CO2 and O2, under inert gas; flask method; loadings of ~1 g/L test substance in triplicate vessels), a solubility equilibrium was observed during testing. No increasing trend in calcium concentrations after 22 days was observed. The mean measured amount of dissolved calcium at 20.0 ± 1.0 °C is 21.9 ± 4.0 mg/L (determined as dissolved calcium on days 23 and 24 separated by filtration from undissolved test item). This corresponds to a test item water solubility of 323 ± 59 mg/L, calculated on a calcium content of 6.8 %.
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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