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EC number: 701-270-9 | 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:
- disregarded due to major methodological deficiencies
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- unsuitable test system
- Remarks:
- Result was reported at the pH 2.5 and is not relevant to the environmental condition
- Qualifier:
- no guideline followed
- GLP compliance:
- no
- Type of method:
- other: No method described
- Specific details on test material used for the study:
- The test material was described as being in aqueous solution, but the concentration was not stated. A 1 wt % mixture of the material with distilled water had pH 2.5 ± 0.3.
- Key result
- Water solubility:
- 0.95 other: %
- Temp.:
- 23 °C
- pH:
- 2.5
- Remarks on result:
- other: pH was measured on a 1 wt % mixture of the material with distilled water using ColorpHast strips.
- Details on results:
- Solubility was reported as 0.95% at 23 °C and pH 2.5 ± 0.3. The same report later stated that the material is in aqueous solution with solubility in water of 100%. This is contridictory to the 0.95% reported. No detail was provided.
- Conclusions:
- A reported single value of water solubility of 0.95% at 23 °C and pH 2.5 was considered unreliable and disregarded.
- Executive summary:
A single value of water solubility of 0.95% at 23 °C and pH 2.5 was reported. The same report later stated that the material is in aqueous solution with solubility in water of 100%, contradictory to the 0.95% reported. No detail was provided regarding to test method, sample preparation and analytical procedure. The validity and reliability of the result can not be verified. In addition, the result was reported at the pH 2.5 and is not relevant to the environmental condition. Therefore, this study was disregarded.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- July 19, 2019 to November 23, 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- yes
- Type of method:
- flask method
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 4293484
- Expiration date of the lot/batch: 01Jan 2021
- Key result
- Water solubility:
- 31.01 other: mgC/L
- Conc. based on:
- other: TOC
- Loading of aqueous phase:
- 50 mg/L
- Incubation duration:
- >= 5 - <= 7 d
- pH:
- >= 6.8 - <= 7
- Remarks on result:
- other: at room temperature
- Key result
- Water solubility:
- 49.95 other: mgC/L
- Conc. based on:
- other: TOC
- Loading of aqueous phase:
- 100 mg/L
- Incubation duration:
- >= 5 - <= 7 d
- pH:
- >= 7.6 - <= 9.2
- Remarks on result:
- other: at room temperature
- Conclusions:
- The water solubilities of MTDID 18990 were 31.01 mgC/L at loading rate of 50 mg/L and 49.95 mgC/L at loading rate of 100 mg/L at room temperature.
- Executive summary:
Water solubility of MTDID 18990 was determined according to OECD 105 with significant modification.
Samples of test article were weighed into 2 mL glass autosampler vials and submerged in vessels containing 1L distilled deionized water. Two loading rates of 50 mg/L and 100 mg/L, each in triplicate, were tested. The vessels were stirred continuously as slowly as possible for 5, 6 and 7 days at ambient temperature. On each of the 5, 6, and 7 days, aliquots of water were removed, and the pH measured, the samples were stored at room temperature until analysis. After stirring for 7 days, the vials were carefully removed from the beaker and dried at ~100 °C in an oven for over ~ 15 hours. The vials were weighed to determine the mass of the residue remaining in the vials. The water samples were diluted 10-fold prior to analysis by TOC analyzer.
Water solubility of MTDID 18990 were 31.01 mgC/L at loading rate of 50 mg/L and 49.95 mgC/L at loading rate of 100 mg/L, based on average measured concentration from day 5 to day 7. Samples reached equilibrium from day 5 to day 7.
Mean mass balances were 50.8% for the loading rate of 100 mg/L and 62.1% for the loading rate of 50 mg/L. It was noted that test article is also composed of non-carbon elements which are not accountable by TOC, therefore, the percentage of these elements will significantly impact the mass balance results.
This is a guideline study conducted under GLP with significant modification. The modification was used to account the insoluble portion for mass balance. The modification did not affect the data quality and reliability.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- May 1, 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- no
- Type of method:
- flask method
- Key result
- Water solubility:
- 0.36 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 1.08 mg/L
- Incubation duration:
- ca. 18 h
- Temp.:
- 22.4 °C
- Remarks on result:
- other: pH not determined
- Key result
- Water solubility:
- <= 100 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 10 000 mg/L
- Incubation duration:
- ca. 10 h
- Temp.:
- 22.4 °C
- Remarks on result:
- other: pH not measured
- Details on results:
- In the first test, 3.6 mg of the original 5.4 mg remained, suggested that 1.8 mg of MTDID 18990 was dissolved into the 5L water. Therefore, the water solubility is 0.36 mg/L (Table 1).
In the second test, MTDID 18990 was a very noticeable opaque white homogeneous emulsion, not clear or dissolved. The emulsion could not be centrifuged out at a speed up to 10,000 rpm. The emulsion was then diluted by a serial 10-fold dilutions in water and evaluated by a HP 5453 UV/VIS spectrophotometer to determine the opacity at 600 nm (A600). The clarity was achieved at a 100-fold dilution. Therefore, the solubility was ≤ 100 ppm (Table 2). - Conclusions:
- Screening evaluation of MTDID 18990 water solubility resulted in a water solubility from 0.36 mg/L to ≤ 100 mg/L at 22.4 °C.
- Executive summary:
The solubility of MTDID 18990 was evaluated in two screening experiments using modified shake flask method.
In the first test, 5.4 mg of MTDID 18990 was accurately weighed into an accurately weighed vial. The open vial with MTDID 18990 was carefully submerged into a vessel of 5 L of ASTM type -1 water. The vessel was stirred at medium speed on a magnetic stir plate for approximately 18 hours at 22.4 °C. The vial was then carefully removed from the vessel and dried at 95 °C for 24 hrs to determine the residue MTDID 18990 remained in the vial. MTDID 18990 lost from the initial 5.4 mg was assumed due to the solubilization into the 5 liters water.
In the second test, 403.8 mg of MTDID 18990 was accurately weighed into a 50 mL Polypropylene centrifuge tube, and then 40 mL of ASTM type -1 water was added, equivalent to 10,000 ppm. The sample was placed on a rotisserie shaker for approximately 10 hours at 22.4 °C. MTDID 18990 formed an opaque white homogeneous emulsion and could not be centrifuged out at a speed up to 10,000 rpm. The emulsion was then diluted by a serial 10-fold dilutions in water and evaluated by a HP 5453 UV/VIS spectrophotometer to determine the opacity at 600 nm (A600).
Result from the first experiment indicated the solubility of MTDID 18990 in water was 0.36 mg/L. Result from the second experiment demonstrated the solubility of MTDID 18990 in water was ≤ 100 mg/L. MTDID 18990 forms a milky emulsion in water at > 100 mg/L.
Both tests were screening evaluations. The results indicate further evaluation of water solubility of MTDID 18990 is needed.
Referenceopen allclose all
Table 1. Water solubility of MTDID 18990
TOC (mgC/L) |
||||||
Loading rate (mg/L) |
Days |
Rep 1 |
Rep 2 |
Rep 3 |
Mean |
RSD% |
100 |
5 |
51.27 |
44.89 |
48.69 |
48.28 |
6.65 |
100 |
6 |
50.92 |
50.09 |
51.00 |
50.67 |
0.99 |
100 |
7 |
50.53 |
51.04 |
51.08 |
50.88 |
0.60 |
% diff (day 6-7) |
0.8 |
-1.9 |
-0.2 |
|||
% diff (day 5-7) |
1.5 |
-12.8 |
-4.8 |
|||
overall |
49.95 |
4.12 |
||||
50 |
5 |
30.06 |
32.30 |
31.02 |
31.13 |
3.61 |
50 |
6 |
29.77 |
31.15 |
31.15 |
30.69 |
2.60 |
50 |
7 |
31.73 |
31.38 |
30.53 |
31.21 |
1.98 |
% diff (day 6-7) |
-6.4 |
-0.7 |
2.0 |
|||
% diff (day 5-7) |
-11.1 |
5.7 |
3.2 |
|||
overall |
31.01 |
2.56 |
Table 1: Recorded weights of MTDID 18990 during dissolution test
Weight of vial |
2.2385 g |
Weight of vial + MTDID 18990 |
2.2439 g |
Initial weight of MTDID 18990 in vial |
0.0054 g |
Volume of water vial submerged into |
5.0 L |
Weight of MTDID 18990 in vial after dissolution test |
2.2421 g |
Weight of MTDID 18990 recovered |
0.0036 g |
Weight of MTDID 18990 dissolved |
0.0018 g |
Calculated solubility |
0.000360 g/L |
Table 2: Spectrophotometric results in second test
Nominal conc. (mg/L) |
A600 |
10000 |
1.89950 |
1000 |
0.22729 |
100(a) |
0.01546 |
10 |
-0.0016479 |
1 |
-0.0022950 |
(a) the maximum solubility based on measurable emulsion still present in sample
Description of key information
The water solubilities of MTDID 18990 were 31.01 mgC/L at loading
rate of 50 mg/L and 49.95 mgC/L at loading rate of 100 mg/L at room
temperature.
Key value for chemical safety assessment
- Water solubility:
- 31.01 mg/L
- at the temperature of:
- 25 °C
Additional information
Water solubility of MTDID 18990 was determined according to OECD 105 with significant modification. The modification was used to account the insoluble portion for mass balance. The modification did not affect the data quality and reliability. Samples of test article were prepared at two loading rates of 50 mg/L and 100 mg/L, each in triplicate, and submerged in vessels containing 1L distilled deionized water. The vessels were stirred continuously as slowly as possible for 5, 6 and 7 days at ambient temperature. On each of the 5, 6, and 7 days, aliquots of water were removed, and the pH measured. The water samples were diluted prior to analysis by TOC analyzer. Water solubility of MTDID 18990 were 31.01 mgC/L at loading rate of 50 mg/L and 49.95 mgC/L at loading rate of 100 mg/L, based on average measured concentration from day 5 to day 7. Samples reached equilibrium from day 5 to day 7. This is a guideline study conducted under GLP with acceptable restrictions (Klimisch 2) and a key study.
The solubility of MTDID 18990 was evaluated in two screening experiments using modified shake flask method. In the first test, a vial containing 5.4 mg of MTDID 18990 was submerged into a vessel of 5 L of ASTM type -1 water and stirred for ~ 18 hrs at 22.4 °C. The vial was then removed and dried at 95 °C for 24 hrs and weighed. MTDID 18990 lost from the initial weight was assumed due to the solubilization. Water solubility of MTDID 18990 was 0.36 mg/L. In the second test, MTDID 18990 at 10,000 ppm in ASTM type -1 water was prepared in a centrifuge tube and placed on a shaker for ~ 10 hrs at 22.4 °C. MTDID 18990 formed an opaque white homogeneous emulsion and could not be centrifuged out at a speed up to 10,000 rpm. The emulsion was diluted in water and the opacity was measured by a HP 5453 UV/VIS spectrophotometer at 600 nm. The clarity was achieved at ≤ 100 mg/L. Both tests were screening evaluation and is considered reliable with acceptable restrictions (Klimisch 2) and a supporting study.
A single value of water solubility of 0.95% at 23 °C and pH 2.5 was reported. A contradictory statement of water solubility of 100% was also in the same report. As this is not relevant to the environmental condition, and no information about the test procedure or method was provided, this study is considered not reliable (Klimisch 3) and a disregarded study.
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