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EC number: 232-401-3 | CAS number: 8016-11-3
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Study period:
- 18 August 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- other: Advanced Chemistry Development (ACD/Labs) Software V9.04 ((C) 1994-2010 ACD/Labs
- Principles of method if other than guideline:
- The CAS system has calculated the solubilities of several epoxidised glycerol esters using Advanced Chemistry Development (ACD/Labs) Software V9.04 ((C) 1994-2010 ACD/Labs).
- GLP compliance:
- no
- Key result
- Water solubility:
- < 0.02 µg/L
- Temp.:
- 20 °C
- Details on results:
- The water solubilities of 14 possible components of ELO have been calculated using Advanced Chemistry Development (ACD/Labs) Software V9.04 ((C) 1994-2010 ACD/Labs). It is concluded that the water solubility of ESBO is <0.02 µg/l and therefore it is “highly insoluble”.
- Conclusions:
- Interpretation of results: insoluble (< 0.1 mg/L) It is concluded that the water solubility of ESBO is <0.02 µg/L and therefore it is “highly insoluble”.
The water solubilities of 14 possible components of ELO have been calculated using Advanced Chemistry Development (ACD/Labs) Software V9.04 ((C) 1994-2010 ACD/Labs). It is concluded that the water solubility of ELO is <0.02 µg/L and therefore it is “highly insoluble”. - Executive summary:
The water solubilities of 14 possible components of ELO have been calculated using Advanced Chemistry Development (ACD/Labs) Software V9.04 ((C) 1994-2010 ACD/Labs). It is concluded that the water solubility of ELO is <0.02 µg/L and therefore it is “highly insoluble”.
- Endpoint:
- water solubility
- Type of information:
- read-across based on grouping of substances (category approach)
- Adequacy of study:
- supporting study
- Study period:
- 18-21 April 2006
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- not specified
- Type of method:
- flask method
- Key result
- Water solubility:
- < 0.05 mg/L
- Temp.:
- 20 °C
- Details on results:
- It is the nature of these epoxidised oil derivatives to form an emulsion upon mixing in water. They do not dissolve and they do not remain as individual molecules in solution, which reflects the difficulty with which the undissolved microemulsion is separated from true aqueous solution. This was confirmed in the attempts to prepare appropriate water accommodated fractions (WAF) of EODA (CAS number 68609-92-7), which did not contain dissolved test substance at or above the method detection limit of 0.05 mg/L. These results from the WAF preparation suggest that actual water solubility of the EOD substances are lower than the reported values. The WAF solubility of EODA is <0.05 mg/L.
- Conclusions:
- Interpretation of results (migrated information): insoluble (<0.1 mg/L). It is the nature of these epoxidised oil derivatives to form an emulsion upon mixing in water. They do not dissolve and they do not remain as individual molecules in solution, which reflects the difficulty with which the undissolved microemulsion is separated from true aqueous solution. This was confirmed in the attempts to prepare appropriate water accommodated fractions (WAF) of EODA (CAS number 68609-92-7), which did not contain dissolved test substance at or above the method detection limit of 0.05 mg/L. These results from the WAF preparation suggest that actual water solubility of the EOD substances are lower than the values reported. The WAF solubility of EODA is <0.05 mg/L.
- Executive summary:
It is the nature of these epoxidised oil derivatives to form an emulsion upon mixing in water. They do not dissolve and they do not remain as individual molecules in solution, which reflects the difficulty with which the undissolved microemulsion is separated from true aqueous solution. This was confirmed in the attempts to prepare appropriate water accommodated fractions (WAF) of EODA (CAS number 68609-92-7), which did not contain dissolved test substance at or above the method detection limit of 0.05 mg/L. These results from the WAF preparation suggest that actual water solubility of the EOD substances are lower than the values reported. The WAF solubility of EODA is <0.05 mg/L.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 3/072002-30/09/2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- < 0.937 mg/L
- Temp.:
- 20 °C
- Remarks on result:
- other: due to the physical nature of the test material, it was not possible to use this method.
- Details on results:
- The test material formed turbid solutions in water, indicative of the presence of a suspended emulsion of excess undissolved material. Each sample, on completion of centrifugation, was isolated as a clear colourless solution prior to analysis. However significant variance between sample concentrations was obtained on analysis of definitive test 1. Therefore an additional determination, definitive test 2, was carried out at a reduced loading concentration. This was performed in an attempt to minimise emulsification and therefore aid sample clean up and thus sample consistency.
However, again the sample results represented a significant range of concentrations. Therefore it was concluded that although each solution appeared clear and colourless prior to analysis, due to the behaviour of the test material in water, removal of all excess undissolved material may not have been complete. As all experimental data supported incomplete sample clean up, the overall conclusion has been reported as a limit value.
A final determination was performed with the inclusion of a filtration step, using a 0.2 µm membrane, during sample clean up. Although no detectable concentrations of test material were found in solution on analysis, this determination was shown to be invalid and has not been presented in this report. During post-analysis validation of filtered procedural recoveries, the test material was found to have a strong adsorption affinity for the filters.
The preliminary water solubility test indicated that the column elution method should have been performed as the solubility was less than 0.1 mg/L. However, due to the physical nature of the test material, it was not possible to use this method; experience has shown that liquid test materials coated onto glass beads cause these beads to adhere together forming a plug within the column and thus preventing water circulation. - Conclusions:
- The water solubility of the test material has been determined to be <0.937 mg/L at 20 °C.
The measured range of six samples was 0.421-1.78 mg/L. - Executive summary:
The water solubility of the test material has been determined to be <0.937 mg/L at 20 °C.
The measured range of six samples was 0.421-1.78 mg/L.
Referenceopen allclose all
The water solubilities of 14 possible components of ELO have been calculated using Advanced Chemistry Development (ACD/Labs) Software V9.04 ((C) 1994-2010 ACD/Labs). The results are presented in the table below. It is concluded that the water solubility of ESBO is <0.02 µg/L and therefore it is “highly insoluble”.
CAS RN |
Epoxidised groups attached to glycerol |
Solubility µg/l |
|||
C18 satd. |
C18’ |
C18’’ |
C18’’’ |
||
824966-69-0 |
|
|
|
3 |
0.015 |
873653-17-9 |
1 |
|
|
2 |
0.0043 |
873653-16-8 |
|
1 |
|
2 |
0.015 |
873653-20-4 |
1 |
|
1 |
1 |
0.0045 |
873653-15-7 |
|
|
2 |
1 |
0.017 |
873653-19-1 |
|
2 |
|
1 |
0.014 |
883236-07-5 |
|
1 |
1 |
1 |
0.043 |
25845-60-7 |
|
1 |
1 |
1 |
0.016 |
3214-50-4 |
|
|
3 |
|
0.0052 |
873653-22-6 |
1 |
|
2 |
|
0.0049 |
873653-18-0 |
|
1 |
2 |
|
0.017 |
811432-54-9 |
|
1 |
2 |
|
0.017 |
160287-53-6 |
|
2 |
1 |
|
0.016 |
873653-21-5 |
|
3 |
|
|
0.016 |
201469-41-2 |
1 |
2 |
|
|
0.0044 |
Note: there are apparently two identical entries but the positioning of the original double bonds is different.
It is the nature of these epoxidised oil derivatives to form an emulsion upon mixing in water. They do not dissolve and they do not remain as individual molecules in solution, which reflects the difficulty with which the undissolved microemulsion is separated from true aqueous solution. This was confirmed in the attempts to prepare appropriate water accommodated fractions (WAF) of EODA (CAS number 68609-92-7), which did not contain dissolved test substance at or above the method detection limit of 0.05 mg/L. These results from the WAF preparation suggest that actual water solubility of the EOD substances are lower than the values reported. The WAF solubility of EODA is <0.05 mg/L.
A calibration curve of mean peak area versus standard concentration (mg/L) was generated for each analysis. The sample mean peak areas were converted directly to test material concentration and corrected for the dilution factor (0.02).
The concentration (g/L) of test material in the sample solutions is shown below:
Sample Number |
Time Shaken at ≈30 °C (hours) |
Time Equilibrated at 20 °C (hours) |
Concentration (mg/L) |
Solution pH |
1 |
24 |
24 |
0.854 |
5.1 |
2 |
48 |
24 |
1.20 |
5.1 |
3 |
72 |
24 |
0.662 |
5.2 |
4 |
24 |
24 |
0.421 |
5.2 |
5 |
48 |
24 |
0.704 |
5.1 |
6 |
72 |
24 |
1.78 |
5.3 |
Overall Mean Concentration: 0.937 mg/L at 20 °C
Overall Range: 0.421 to 1.78 mg/L
Recovery of analysis of the sample procedure was assessed and proved adequate for the test:
Nominal Concentration (mg/L) |
Recovery range (%) |
Mean recovery (%) |
1.0 |
80.7-95.2 |
88.2 |
Description of key information
The water solubility of the test material has been determined to be <0.937 mg/L at 20 °C. The measured range of six samples was 0.421-1.78 mg/L.
The water solubilities of 14 possible components of the test item were calculated to be <0.02 µg/L using Advanced Chemistry (ACD/Labs) Software V9.04 ((C) 1994 -2010 ACD/Labs). It is concluded that ESBO is "highly insoluble".
The OECD SIDS 2006 report explains that the nature of epoxidised oil derivatives to form an emulsion upon mixing in water. They do not dissolve and do not remain as individual molecules in solution, which reflects the difficulty as an undissolved microemulsion is separated from true aqueous solution. This was confirmed in the attempts to prepare appropriate water accommodated fractions (WAF) of EODA (CAS number 68609-92-7), which did not contain dissolved test substance at or above the method detection limit of 0.05 mg/L. These results from the WAF preparation suggest that actual water solubility of the EOD substances are lower than the values reported. The WAF solubility of EODA is <0.05 mg/L.
Key value for chemical safety assessment
- Water solubility:
- 0.02 µg/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.
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