Linseed oil, epoxidized

Water solubility

Link to relevant study record(s)

Reference

Reference 1

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”.

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.

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”.

Reference 2

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.

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.

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.

Reference 3

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.

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

 

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.

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