Glycerides, C12-18 mono-, di- and tri-

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

5 oct. 2017 to 15 March 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Specific details on test material used for the study:

Name (or product trading name) * Glycerides, C12-18, Mono-, Di- and Tri-
FCBA reference 17/1162F/1
Batch number * 170519013326
Manufacturing date * May 15, 2017
Composition* Certificate of analysis: see Annex 1 (non GLP data)
Active substance [CAS number] * Glycerides, C12-18 Mono-, Di- and Tri- [61789-05-7]
Purity * 100 % commercial product
Manufacturer * SEPPIC
Test item state Wax
Test item quantity received at test facility 50 g
Packaging 1 plastic flask
Storage conditions * 20 ± 5°C
Stability : deadline to use* Expiry date: May 15, 2019

Key result

Water solubility:

ca. 17.2 mg/L

Conc. based on:

test mat. (dissolved fraction)

Incubation duration:

ca. 10 min

Temp.:

20 °C

pH:

>= 6 - <= 7

Details on results:

Preliminary estimation:
A weight of 0.1 g of test item was shaken at room temperature with increasing volumes of water in a stepwise manner. After each addition of an amount of water, the mixture was shaken for 10 minutes and the dissolution was assessed visually In order to estimate the solubility of the test item. At the request of the sponsor, additional evaluations were performed. A weight of 0.01 g and 0.005 g of the test item were shaken with 1000 mL and 5000 mL of water respectively.
Test temperature: 19.8 °C
Taking the visual observations into account, the preliminary test shows that the solubility of the test item was comprised between 10 g/L and 50 g/L.
The solubility estimated of test item “Glycerides, C12-18, Mono-, Di- and Tri-” in water at ambient temperature was comprised between 10 g/L and 50 g/L, thus flask method was selected for the main test.
Further to the preliminary testing and on the composition of the test item, the expected solubility in water is of the order a few mg/L and no g/L. Microscopic observations allowed to show the presence of fine colloid structures and insoluble structure. Based on these considerations, the sponsor requested to perform the elution column method in order to determine the water solubility of the test item “Glycerides, C12-18, Mono-, Di- and Tri-”.

Results definitive test:
During the first experiment (25 mL/h), the water solubility was determined using the mean of the five last sample, the water solubility has been determined to be 13.1 ± 2.6 mg/L.
The maximum of difference observed on the five last sample is: 14.74 -10.76 = 3.98 mg/L.
The mean of the two maximum value is (14.74+10.76)/2 = 12.75 mg/L. The relative difference, corresponding to the ratio of the maximum difference and the mean of the two maximum values is: (3.98/12.75)* 100 =31.2%.
During the experiment at 25 mL/h, the relative difference was slightly higher than the criteria more than ± 30 %: 31.2 % Considering the fact that the preparation to analyse the test item is a complex preparation of analytic samples (i.e. methylation) and that the quantification is performed on the sum areas of five peaks, this result can be considered as valid and which equilibrium was established.
During the second experiment (12.5 mL/h), the water solubility was determined using the mean of the six last sample, the water solubility has been determined to be 21.3 ± 2.9 mg/L.
The maximum of difference observed on the six last sample is: 24.52 -18.29 = 6.23 mg/L.
The mean of the two maximum value is (18.29+24.52)/2 = 21.41 mg/L. The relative difference, corresponding to the ratio of the maximum difference and the mean of the two maximum values is: (6.23/21.41)* 100 = 29.1%.

The six last sample concentration do not differ more than ± 30 % which means that equilibrium was established.


Deviation between the averages obtained for both experiments:

The difference observed on the two means calculated for both experiments is: 21.3 – 13.1 = 8.2 mg/L.
The mean of the two means is (21.3+13.1)/2 = 17.2 mg/L. The relative difference, corresponding to the ratio of the difference and the mean of the two means calculated for both experiments is: (8.2/17.2)* 100 = 47.7%.

The mean value obtained from two experiments differed by more than 30% (47.7%). At view of the complexity to analyse the test item due to a complex preparation analytic samples (i.e. methylation), a mixture of compounds and the behavior of each compounds in water which quantified on the sum areas, this deviation of 47.7% seems to be high in view of criteria of 30 % but nevertheless, the means obtained at 25 mL/h and 12.5 mL/h are relatively close (21.3 mg/L and 13.1 mg/L). In that case, these results can be considered as acceptable and valid. In conclusion, the water solubility of the test item “Glycerides, C12-18, Mono-, Di- and Tri-” was determined to be 17.2 mg/L. This value is the mean of two independent measurements at 25 mL/h and 12.5 mL/h.

Validation criteria

 

Results obtained for the Quality Control (QC) were compared to the acceptance criteria:

Date of analysis	Sample ID	Nominal value	Measured value (mg/L)	Deviation (%)	Conformity +/- 15 % / nominal value
March 07, 2018	QC 25 mg/L 8/230218/9 QC01 to QC02	25 mg/L	23.39	- 6.4	Yes
			23.57	- 5.7

 

Date of analysis	Sample ID	Nominal value	Measured value (mg/L)	Deviation (%)	Conformity +/- 15 % / nominal value
March 08, 2018	QC 25 mg/L 8/230218/9 QC01 to QC02	25 mg/L	23.99	- 4.0	Yes
			23.98	- 4.1

 

 

Results obtained for the Unknown Standards were compared to the acceptance criteria:

Date of analysis	Sample ID	Nominal value	Measured value (mg/L)	Deviation (%)	Conformity +/- 15 % / nominal value
March 07, 2018	VF 25 mg/L 8/230218/4 VF01 to VF02	25 mg/L	24.29	- 2.8	Yes
			24.21	- 3.2

 

Date of analysis	Sample ID	Nominal value	Measured value (mg/L)	Deviation (%)	Conformity +/- 15 % / nominal value
March 08, 2018	VF 25 mg/L 8/230218/4 VF01 to VF02	25 mg/L	25.16	+ 0.6	Yes
			24.61	- 1.6

 

The unknown standards and the Quality controls (QCs) are well within 21.25 mg/L and 28.75 mg/L

Conclusion

 The water solubility of the test item “Glycerides, C12-18, Mono-, Di- and Tri-” was determined to be 17.2 mg/L. This value is the mean of two independent measurements at 25 mL/h and 12.5 mL/h.

Conclusions:

The water solubility of the test item “Glycerides, C12-18, Mono-, Di- and Tri-” was determined to be 17.2 mg/L. This value is the mean of two independent measurements at 25 mL/h and 12.5 mL/h.

Executive summary:

The aim of this study wasto determine experimentally the water solubilityon the test item“Glycerides C12-18, Mono-, Di- and Tri-”according to the OECD 105 guideline.

The study was carried out in accordance with the study plan No.17/1162F/b-e dated October 04, 2017.

There was three deviations and no amendment during this study.

The results of this study are summarized below:

Two independent experiments were carried out. Concentration of the test item was regularly measured by GC/FID (Gas chromatography with Flame Ionization Detector).

The water solubility of the test item“Glycerides C12-18, Mono-, Di- and Tri-”was determined to be 17.2 mg/L.

Description of key information

The water solubility of the test item “Glycerides C12-18, Mono-, Di- and Tri-”was determined to be 17.2 mg/L.

Key value for chemical safety assessment

Water solubility:

17.2 mg/L

at the temperature of:

20 °C