2,3-Epoxypropyl neodecanoate, oligomeric reaction products with cyclohexane-1,2-dicarboxylic anhydride and propylidenetrimethanol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

18-Sep-2017 to 02-Oct-2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

yes

Remarks:

Method Deviation: The maximum difference between at least two measurements was not <15%. Considering the very low concentration this was considered what was technically achievable. There was no impact on the integrity of the study.

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

yes

Remarks:

Method Deviation: The maximum difference between at least two measurements was not <15%. Considering the very low concentration this was considered what was technically achievable. There was no impact on the integrity of the study.

GLP compliance:

yes

Type of method:

flask method

Specific details on test material used for the study:

Batch: CVR 83297
Purity/Composition: 97.2%
Test item storage: At room temperature protected from light
Stable under storage conditions until: 27 December 2018 (expiry date)

Key result

Water solubility:

0.002 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

10 mg/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 8.2 - <= 8.4

Key result

Water solubility:

0.01 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

200 mg/L

Incubation duration:

>= 24 - <= 75 h

Temp.:

20 °C

pH:

>= 8.5 - <= 8.8

Details on results:

The results for the samples taken at 24, 48 and 72 hours were determined for a loading rates of 10 mg/L and 200 mg/L. For both loadings, the difference of the concentrations determined in the 24, 48 and 72 hours test samples was significantly higher than the maximum acceptable value (¿15%). Based on this, these water solubility vessels were sampled again on the same day. The differences in measured concentrations were comparable to initial analysis. Based on the results of the repeated sampling, the water solubility was considered not increasing with time: for several vessels, lower values were obtained after 3 additional hours of stirring. The variation in observed concentrations was considered due to the very low level of water solubility and repeatability of the analytical method at that concentration level. It was, therefore, decided to calculate the water solubility as the average of all obtained results.

Loading rate [mg/L]	Stirring time [hours]	Analysed concentration [¿g/L]	pH	Mean [mg/L]	Maximum difference [%]
10	24	0.37^1	8.4	0.00204	181
	27	0.982^2
	48	0.52^1	8.6
	51	0.79^1,2
	72	7.48	8.2
	75	2.07^2
200	24	10.0	8.5	0.0103	150
	27	2.80^1
	48	10.5	8.8
	51	7.59^1
	72	19.4	8.6
	75	11.8^1

¹Extrapolated value calculated by extrapolation of the calibration curve.

²Repeated sampling at the same day.

Conclusions:

The water solubility of the test item in absolute concentrations increased with increasing loading. However, the differences of the concentrations determined in the test samples after 24, 48 and 72 hours were significant. The variation was considered due to the very low level of water solubility and repeatability of the analytical method at that concentration level. The water solubility was calculated as the average of all obtained results. Based on this, the water solubility of the test item at 20 °C was 0.00204 mg/L at a loading rate of 10 mg/L and 0.0103 mg/L at a loading rate of 200 mg/L.

Executive summary:

The slow-stirring flask method was applied for the determination of the water solubility of Epoxypropyl neodecanoate, oligomeric reaction products with cyclohexane-1,2-dicarboxylic

anhydride and propylidenetrimethanol according to OECD 105 & EC A.6. The water solubility of the test item in absolute concentrations increased with increasing loading. However, the differences of the concentrations determined in the test samples after 24, 48 and 72 hours were significant. The variation was considered due to the very low level of water solubility and repeatability of the analytical method at that concentration level. The water solubility was calculated as the average of all obtained results. Based on this, the water solubility of the test item at 20 °C was 0.00204 mg/L at a loading rate of 10 mg/L and 0.0103 mg/L at a loading rate of 200 mg/L.

Description of key information

The slow-stirring flask method was applied for the determination of the water solubility of Epoxypropyl neodecanoate, oligomeric reaction products with cyclohexane-1,2-dicarboxylic anhydride and propylidenetrimethanol in accordance with EU A.6 and OECD 105. Based on this study, the water solubility of the test item at 20 °C was 0.00204 mg/L at a loading rate of 10 mg/L and 0.0103 mg/L at a loading rate of 200 mg/L.

Key value for chemical safety assessment

Water solubility:

0.01 mg/L

at the temperature of:

20 °C