Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 257-446-6 | CAS number: 51818-55-4
- 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
- Remarks:
- Aqueous Solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- The study was initiated on 13 April 2017 and completed on the date the final report was signed by the Study Director.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- The standard shake flask method
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: slow stir adaptation is based on procedure described in OECD Guideline 123, partition coefficient by slow stir, and on the publication of Letinski et al. Slow-stir water solubility measurements
- Version / remarks:
- The slow stir adaptation is based on the procedure described in the OECD Guideline 123, partition coefficient by slow stir, and on the publication of Letinski et al. Slow-stir water solubility measurements of selected alcohols and diesters, Chemosphere 48 (2002) 257-265.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: Shake Flask Method & Slow Stir Method
- Specific details on test material used for the study:
- Sponsor batch: E01133-065
Purity: 100 %
Arrival date: 6 March 2017
Re-test date: 31 July 2019
Storage conditions: Refrigerated (2 to 8°C) under nitrogen. The test substance was supplied in a translucent HDPE container and has been stored in this container. The test substance was stored in a fridge, in the dark when not in use. - Key result
- Water solubility:
- 16 other: ug/mL
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 4
- Details on results:
- Shake Flask Method
Due to issues with formation of emulsions, which caused variable results (at pH 4 values ranged from 24.21 to 242.54 µg/mL and at pH 7 values ranged from 19.56 to 120.65 µg/mL) even after centrifugation, and the higher than expected concentrations the results from this test were considered unreliable and have not therefore been reported.
Slow Stir Method
At pH 4; equilibrium was considered achieved after 121 hours stirring (deviation was <15% with no rising tendency) and the mean solubility of test item was 16.00 µg/mL. The test temperature was 20 ± 0.5°C. The turbidity of each sample was = 0.085 NTU, confirming that true solutions were being analysed.
At pH 7; equilibrium was not achieved, the mean maximum solubility of test item was 398.83 µg/mL after 550.08 hours. As time progressed the contents of the vessel became more of a suspension and had altered in colour. This suggested that test item was reacting with the pH 7 buffer; this was confirmed to probably be the case after discussions with the sponsor. However there was no change in chromatography other than the increase in the test substance concentration over time. It was concluded that it was not possible to determine the solubility of test item in pH 7 buffer. The test temperature was 20 ± 0.5°C except for a period from 08:53 to 13:38 on 15 November 2017, a period of 4 hours and 45 minutes where the temperature reached a maximum of 21.1°C. This only effected the last sample taken on 15 November at 13:38 and as equilibrium was not reached at pH 7 this is not considered to have adversely affected the results of the test.
The full results are shown in the attached Table 11 and graphically in Figure 27. - Conclusions:
- Aqueous solubility (20°C) OECD 105 (1995)
pH 4 buffer: 16.00 µg/mL
pH 7 buffer could not be determined due to probable reaction with the buffer. - Executive summary:
The water solubility of the test item was determined by the shake flask method (according to OECD 105) and the slow stir method (according to OECD 123) and is 16 mg/L at 20°C.
Reference
Table 1: Aqueous Solubility of the test item:
pH 4 Buffer
|
|
Aqueous solubility (µg/mL) |
|
|||
Date and Time |
Experiment Time (hours) |
Sample 1 |
Sample 2 |
Sample 3 |
Mean |
pH |
04/10/2017 09:30 |
0.00 |
|
Test Start |
|
0 |
|
05/10/2017 11:20 |
25.83 |
7.83949 |
7.63545 |
8.04552 |
7.84 |
4.03 |
06/10/2017 13:25 |
51.92 |
8.94943 |
10.78882 |
9.91646 |
9.88 |
4.02 |
09/10/2017 10:30 |
121.00 |
14.79581 |
14.31409 |
14.98981 |
14.70 |
4.04 |
10/10/2017 10:30 |
145.00 |
14.78913 |
16.92473 |
17.05386 |
16.26 |
4.02 |
11/10/2017 08:35 |
167.08 |
16.51285 |
16.59572 |
15.61433 |
16.24 |
4.05 |
12/10/2017 08:35 |
191.08 |
16.78026 |
16.96388 |
16.10225 |
16.62 |
4.02 |
13/10/2017 08:30 |
215.00 |
15.76272 |
16.46207 |
16.37103 |
16.20 |
4.06 |
Mean results from 09/10/17 |
16.00 |
|
pH 7 Buffer
|
|
Aqueous solubility (µg/mL) |
|
|||
Date and Time |
Experiment Time (hours) |
Sample 1 |
Sample 2 |
Sample 3 |
Mean |
pH |
23/10/2017 15:30 |
0.00 |
|
Test Start |
|
0 |
- |
24/10/2017 13:20 |
21.83 |
23.72935 |
23.17883 |
20.37061 |
22.43 |
7.01 |
25/10/2017 11:40 |
44.17 |
31.77849 |
31.22199 |
28.76357 |
30.59 |
7.02 |
26/10/2017 10:55 |
67.42 |
48.67237 |
49.55399 |
48.03761 |
48.75 |
7.02 |
27/10/2017 11:00 |
91.50 |
68.41414 |
63.81013 |
65.79996 |
66.01 |
7.01 |
30/10/2017 11:10 |
163.67 |
91.59389 |
100.38872 |
96.87321 |
96.29 |
7.00 |
31/10/2017 09:40 |
186.17 |
155.01273 |
176.12057 |
152.91428 |
161.35 |
7.00 |
01/11/2017 11:25 |
211.92 |
157.43282 |
110.95941 |
127.74153 |
132.04 |
6.99 |
02/11/2017 11:30 |
236.00 |
176.12134 |
166.82256 |
171.89270 |
171.61 |
7.00 |
03/11/2017 11:45 |
260.25 |
183.24679 |
188.96197 |
183.70235 |
185.30 |
7.01 |
06/11/2017 11:20 |
331.83 |
224.62012 |
211.31075 |
229.41304 |
221.78 |
7.02 |
15/11/2017 13:35 |
550.08 |
407.59469 |
412.37409 |
376.531530 |
398.83 |
7.06 |
Description of key information
The water solubility of the test item was determined by the shake flask method (according to OECD 105) and the slow stir method (according to OECD 123) and is 16 mg/L at 20°C.
Key value for chemical safety assessment
- Water solubility:
- 16 mg/L
- at the temperature of:
- 20 °C
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.