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EC number: 700-255-4 | CAS number: 31775-89-0
- 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:
- Between 07 January 2009 and 17 April 2009.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: 19th August 2008 Date of signature: 4th March 2009
- Type of method:
- flask method
- Key result
- Water solubility:
- 0.001 g/L
- Temp.:
- 20 °C
- pH:
- 5.5 - 6.9
- Remarks on result:
- other: Component B (main constituent; PEMB)
- Key result
- Water solubility:
- 0.034 g/L
- Temp.:
- 20 °C
- pH:
- 5.5 - 6.9
- Remarks on result:
- other: Component A (minor constituent)
- Details on results:
- Preliminary test
The preliminary estimate of water solubility was for 1.43 x 10-2 g/L for Component A and 2.76 x 10-3 g/l for Component B. - Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L) both the minor and main constituents fall into this category
The water solubility of the test material has been determined using the flask method and the results are shown in the following table:
Component Concentration (g/l) at 20.0 ± 0.5 ºC
A (minor) 3.36 x 10-2
B (main) 7.55 x 10-4 - Executive summary:
Water Solubility: The water solubility the test material has been determined using the flask method, Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. The results are shown in the following table:
Component
Concentration (g/l) at 20.0 ± 0.5ºC
A (minor)
3.36 x 10-2
B (main, PEMB)
7.55 x 10-4
Reference
Definitive test
The mean peak areas relating to the standard and sample solutions are shown in the following table:
Component A:
Solution |
Mean Peak Area |
Standard 53.0 mg/L |
621.161 |
Standard 56.5 mg/l |
623.677 |
Matrix Blank |
0 |
Sample 1A |
849.078 |
Sample 1B |
848.593 |
Sample 2A |
1.058 x 103 |
Sample 2B |
1.061 x 103 |
Sample 3A |
1.237 x 103 |
Sample 3B |
1.229 x 103 |
Standard 65.5 mg/L |
556.123 |
Standard 67.0 mg/l |
540.009 |
Matrix Blank |
0 |
Sample 4A |
958.497 |
Sample 4B |
956.012 |
Sample 5A |
948.516 |
Sample 5B |
949.105 |
Sample 6A |
1.009 x 103 |
Sample 6B |
1.004 x 103 |
Component B
Solution |
Mean Peak Area[1] |
Standard 5.30 mg/L |
801.302 |
Standard 5.65 mg/L |
649.576 |
Matrix Blank |
46.083 |
Sample 1A |
118.167 |
Sample 1B |
145.403 |
Sample 2A |
176.376 |
Sample 2B |
173.956 |
Sample 3A |
223.003 |
Sample 3B |
132.230 |
Standard 65.5 mg/L |
376.650 |
Standard 67.0 mg/L |
371.706 |
Matrix Blank |
0 |
Sample 4A |
26.315 |
Sample 4B |
25.479 |
Sample 5A |
25.098 |
Sample 5B |
22.892 |
Sample 6A |
27.145 |
Sample 6B |
27.307 |
[1]Standard and sample mean peak areas have been corrected for the mean peak area of the matrix blank.
The concentration (g/l) of test material in the sample solutions is shown in the following table:
Sample Number |
Time Shaken at ~ 30ºC (hours) |
Time Equilibrated at 20ºC (hours) |
Concentration (g/l) Component A |
Concentration (g/l) Component B |
Solution pH |
1 |
24 |
24 |
2.13 x 10-2 |
1.64 x 10-3 † |
6.3 |
2 |
48 |
24 |
2.66 x 10-2 |
2.19 x 10-3† |
6.7 |
3 |
72 |
24 |
3.10 x 10-2 |
2.22 x 10-3† |
6.9 |
4 |
96 |
24 |
3.31 x 10-2 |
7.61 x 10-4 |
5.5 |
5 |
120 |
24 |
3.28 x 10-2 |
7.05 x 10-4 |
5.6 |
6 |
144 |
24 |
3.49 x 10-2 |
8.00 x 10-4 |
6.1 |
† Data not used included in the mean concentration
Component |
Mean Concentration (g/L) |
Range (g/L) |
A |
3.36 x 10-2 |
3.28 x 10-2to 3.49 x 10-2 |
B |
7.55 x 10-4 |
7.05 x 10-4to 8.00 x 10-4 |
Discussion:
The concentration of Component A was considered to have reached a plateau after 96 hours. Therefore the data from 96, 120 and 144 hours was used to calculate the mean water solubility concentration for Component A of the test material.
Component B results from the 24, 48 and 72 hour samples were considered to be artificially elevated possibly due to an interfering peak in the chromatography (see chromatogram below). The chromatography for the latter time-points was noted to be free from interference and reproducibility of the data was significantly improved. It was considered appropriate to use only the data from 96, 120 and 144 hour time-points tor calculation of the water solubility of Component B of the test material It is evident from the structural information that although there are functional groups present that may be prone to hydrolysis. However, the calculated estimate of hydrolysis at pH 7 gives half-lives of approximately 13 and 10 years for Components A and B respectively (HYDROWIN v1.67, EPISuite version 3.11, copyright 2000 - 2007 US Environment Protection Agency). Data relating to the pH of the test material in water indicates that negligible hydrolysis of the sample solution occurred during the course of the water solubility test.
Description of key information
The water solubility of the substance was determined as 0.755 mg/L (main constituent) according to OECD Guideline 105 using the flask method.
Key value for chemical safety assessment
- Water solubility:
- 0.755 mg/L
- at the temperature of:
- 20 °C
Additional information
Samples stirring times were prolonged to 96, 120 and 144 hours, because analytical results indicated that the maximum solubility (plateau) had not been reached after 72 hours of stirring. Additionally, the solubility of the main constituent was considered to be overestimated in the 24 -, 48 - and 72 hours samples due to interferences in the chromatography.
It was concluded that the water solubility of the minor constituent PE3MB is 33.6 mg/L at 20 °C (component A) whereas the water solubility of the main constituent PEMB was determined to be 0.755 mg/L at 20 °C (component B). Since the latter constituent is of main interest, the key value for the water solubility of PEMB will be assigned as 0.755 mg/L.
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