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Reaction mass of 3,4,5-trichlorophthalic acid, strontium salt and 3,4,6-trichlorophthalic acid, strontium salt and 3,4-dichlorophthalic acid, strontium salt and 3,5-dichlorophthalic acid, strontium salt and 3,6-dichlorophthalic acid, strontium salt and 3-chlorophthalic acid, strontium salt and 4,5-dichlorophthalic acid, strontium salt and 4-chlorophthalic acid, strontium salt
EC number: 925-568-5 | 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:
- 2019-07-11 to 2019-10-31
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- Annex, Part A
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- GLP compliance:
- no
- Type of method:
- flask method
- Water solubility:
- 442 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- 4.9
- Remarks on result:
- other: Water solubility of Strontium 4,5-dichlorophthalate. Mean pH and mean solubility from three experiments.
- Water solubility:
- 5 641.5 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- 4.9
- Remarks on result:
- other: Water solubility of Strontium 3,4-dichlorophthalate. Mean pH and mean solubility from three experiments.
- Water solubility:
- 1 163.5 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- 4.9
- Remarks on result:
- other: Water solubility of Strontium 3,6-dichlorophthalate and Strontium 4-chlorophthalate. Mean pH and mean solubility from three experiments.
- Water solubility:
- 430.2 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- 4.9
- Remarks on result:
- other: Water solubility of Strontium 3,4,5-trichlorophthalate and Strontium 3,4,6-trichlorophthalate. Mean pH and mean solubility from three experiments.
- Conclusions:
- The following water solubilities of constituents of the test item at 20 °C (pH 4.9) have been determined (values resulting from three experiments):
- Strontium 4,5-dichlorophthalate: 442.0 mg/L
- Strontium 3,4-dichlorophthalate: 5641.5 mg/L
- Strontium 3,6-dichlorophthalate + Strontium 4-chlorophthalate: 1163.5 mg/L
- Strontium 3,4,5-trichlorophthalate + Strontium 3,4,6-trichlorophthalate: 430.2 mg/L
- Executive summary:
The water solubility of the test item was determined by the flask method according to OECD Guideline 105. The concentrations of the constituents were determined by HPLC analysis. The following water solubilities of constituents of the test item at 20 °C (pH 4.9) have been determined (values resulting from three experiments):
- Strontium 4,5-dichlorophthalate: 442.0 mg/L
- Strontium 3,4-dichlorophthalate: 5641.5 mg/L
- Strontium 3,6-dichlorophthalate + Strontium 4-chlorophthalate: 1163.5 mg/L
- Strontium 3,4,5-trichlorophthalate + Strontium 3,4,6-trichlorophthalate: 430.2 mg/L
The contents of the constituents of the test item have been taken into account.
Reference
Preliminary estimation of the water solubility - visual estimation
Increasing amounts of distilled water were added stepwise to 9.25 mg of the test item.
Table 1: Appearance of test mixture during preliminary test
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture (mixture was shaken for 10 minutes) |
9.25 |
0.1 |
Undissolved particles* |
0.5 |
Undissolved particles* |
|
1 |
Undissolved particles* |
|
2 |
Undissolved particles* |
|
10 |
Undissolved particles* |
|
100 |
Clear solution, test item completely dissolved |
*The mixture was shaken for 10 minutes.
Result:
In a total volume of 100 mL of distilled water the test item was completely dissolved. Thus, the water solubility of the test item in distilled water was estimated to be between 0.0925 g/L and 0.925 g/L. Due to the fact that the estimated solubility of the test item was above 10 mg/L, the main test for the determination of the water solubility had to be performed according to the "flask method”.
Main test (flask method) in distilled water
100 mL of distilled water were added to three individual sample weights of approximately 10 g of the test item and stirred at 30 °C for different time intervals. After equilibration (24 h at 20 °C) aliquots of the saturated aqueous phases were filtered through 0.45 μm one-way syringe filters (SPARTAN 13, RC-membrane, Whatman). The first 0.5 mL of the filtrate were discarded. For the determination of the concentrations of the constituents of the test item two individual dilutions were prepared. For the main constituent (Strontium 4,5-dichlorophthalate) 0.5 mL of filtrate were diluted to 10 mL with methanol / water 50:50, v/v. For the other constituents 0.1 mL of filtrate were diluted to 25 mL with methanol / water 50:50, v/v. The results of the solubility measurements are shown in Table 2 to Table 6. The contents of the constituents of the test item have been taken into account.
Table 2: Test conditions for the water solubility experiments
Flask No. |
1 |
2 |
3 |
Blank |
Amount test item [g] |
9.96 |
10.03 |
10.18 |
- |
Stirring time at 30 °C |
72 |
48 |
24 |
72 |
Equilibration time at 20 °C [h] |
24 |
24 |
24 |
24 |
pH after separation at 20 °C |
4.87 |
4.85 |
4.92 |
6.04 |
Table 3: Water solubility of Strontium 4,5-dichlorophthalate
Flask |
Sample |
Conc. [mg/L] |
Mean [mg/L] |
RSD [%] |
3 |
1 day, I |
439.4402 |
440.0278 |
1.04 |
1 day, I |
446.6236 |
|||
1 day, II |
437.8153 |
|||
1 day, II |
436.2321 |
|||
2 |
2 days, I |
443.2642 |
442.6144 |
0.33 |
2 days, I |
442.9457 |
|||
2 days, II |
443.7471 |
|||
2 days, II |
440.5058 |
|||
1 |
3 days, I |
437.5726 |
443.2872 |
1.03 |
3 days, I |
447.1950 |
|||
3 days, II |
446.7936 |
|||
3 days, II |
441.5876 |
|||
|
Mean of flasks 1 to 3 |
442.0 |
|
|
Std. Dev. |
0.4 |
Table 4: Water solubility of Strontium 3,4-dichlorophthalate
Flask |
Sample |
Conc. [mg/L] |
Mean [mg/L] |
RSD [%] |
3 |
1 day, I |
5695.4604 |
5704.7528 |
0.62 |
1 day, I |
5666.6906 |
|||
1 day, II |
5704.9883 |
|||
1 day, II |
5751.8719 |
|||
2 |
2 days, I |
5619.7014 |
5631.4368 |
0.80 |
2 days, I |
5696.7195 |
|||
2 days, II |
5614.2093 |
|||
2 days, II |
5595.1168 |
|||
1 |
3 days, I |
5518.6103 |
5588.4367 |
1.45 |
3 days, I |
5651.6897 |
|||
3 days, II |
5518.2158 |
|||
3 days, II |
5665.2310 |
|||
|
Mean of flasks 1 to 3 |
5641.5 |
|
|
Std. Dev. |
1.0 |
Table 5: Water solubility of Strontium 3,6-dichlorophthalate and Strontium 4-chlorophthalate
Flask |
Sample |
Conc. [mg/L] |
Mean [mg/L] |
RSD [%] |
3 |
1 day, I |
1143.2279 |
1133.6525 |
0.65 |
1 day, I |
1125.3448 |
|||
1 day, II |
1133.4863 |
|||
1 day, II |
1132.5509 |
|||
2 |
2 days, I |
1169.9392 |
1186.4055 |
1.62 |
2 days, I |
1190.2557 |
|||
2 days, II |
1212.0400 |
|||
2 days, II |
1173.3872 |
|||
1 |
3 days, I |
1200.7103 |
1170.3165 |
2.85 |
3 days, I |
1123.4539 |
|||
3 days, II |
1184.9961 |
|||
3 days, II |
1172.1056 |
|||
|
Mean of flasks 1 to 3 |
1163.5 |
|
|
Std. Dev. |
2.3 |
Table 6: Water solubility of Strontium 3,4,5-trichlorophthalate and Strontium 3,4,6-trichlorophthalate
Flask |
Sample |
Conc. [mg/L] |
Mean [mg/L] |
RSD [%] |
3 |
1 day, I |
425.7026 |
425.0117 |
0.63 |
1 day, I |
421.5845 |
|||
1 day, II |
424.7021 |
|||
1 day, II |
428.0576 |
|||
2 |
2 days, I |
437.4787 |
429.0523 |
1.38 |
2 days, I |
428.8217 |
|||
2 days, II |
424.4850 |
|||
2 days, II |
425.4236 |
|||
1 |
3 days, I |
440.5870 |
436.6802 |
1.09 |
3 days, I |
433.9040 |
|||
3 days, II |
431.3806 |
|||
3 days, II |
440.8490 |
|||
|
Mean of flasks 1 to 3 |
430.2 |
|
|
Std. Dev. |
1.4 |
The measured concentrations from all three tests for all constituents of the test item were within the required range and therefore were used for calculation of the average water solubility in distilled water, respectively.
Description of key information
The water solubility of the test item was determined by the flask method according to OECD Guideline 105. The concentrations of the constituents were determined by HPLC analysis. The following water solubilities of constituents of the test item at 20 °C (pH 4.9) have been determined (values resulting from three experiments):
- Strontium 4,5-dichlorophthalate: 442.0 mg/L
- Strontium 3,4-dichlorophthalate: 5641.5 mg/L
- Strontium 3,6-dichlorophthalate + Strontium 4-chlorophthalate: 1163.5 mg/L
- Strontium 3,4,5-trichlorophthalate + Strontium 3,4,6-trichlorophthalate: 430.2 mg/L
The contents of the constituents of the test item have been taken into account.
Key value for chemical safety assessment
Additional information
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