Fatty acids, C16-18, isononyl esters

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

20 Jun - 25 Jul 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

no

Type of method:

column elution method

Key result

Water solubility:

< 13.3 µg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

6.3

The concentrations of the test item in the different test solutions were calculated automatically using the equation of the calibration curve. The results are listed in the following tables:

 

Results for C16 isononyl esters

In each run, the test item could not be detected in 5 consecutive fractions, hence the water solubility of the test item is considered to be below the detection limit of the analytical method.

Three fractions in the 6.25 mL/h run showed the presence of the test item (two of the values are out of the working range of the method and were determined by extrapolation), this can likely be explained by the fact that some undissolved material was flushed from the column.

Flow rate   [mL/h]	Fraction No.	Volume of combined fractions analysed [mL]	Internal Standard [µg/L]	Test Item   [µg/L]
12.5	1 (1-2)	20	105.74	< 13.3
	2 (3-4)	20	105.74	< 13.3
	3 (5-6)	20	105.74	< 13.3
	4 (7-8)	20	105.74	< 13.3
	5 (9-10)	20	105.74	< 13.3
	6 (11-12)	20	105.74	< 13.3
	7 (13-14)	20	105.74	< 13.3
	8 (15-16)	20	105.74	< 13.3
6.25	1 (1-2)	20	98.23	< 13.3
	2 (3-4)	20	98.23	< 13.3
	3 (5-6)	20	98.23	< 13.3
	4 (7-8)	20	98.23	< 13.3
	5 (9-10)	20	98.23	< 13.3
	6 (11-12)	20	98.23	2121.94
	7 (13-14)	20	98.23	899.22
	8 (15-16)	20	98.23	114.08

 

 

Results for C18 isononyl esters

In each run, the test item could not be detected in 5 consecutive fractions, hence the water solubility of the test item is considered to be below the detection limit of the analytical method.

Three fractions in the 6.25 mL/h run showed the presence of the test item (two of the values are out of the working range of the method and were determined by extrapolation), this can likely be explained by the fact that some undissolved material was flushed from the column.

Flow rate   [mL/h]	Fraction No.	Volume of combined fractions analysed [mL]	Internal Standard [µg/L]	Test Item   [µg/L]
12.5	1 (1-2)	20	105.74	< 5.3
	2 (3-4)	20	105.74	< 5.3
	3 (5-6)	20	105.74	< 5.3
	4 (7-8)	20	105.74	< 5.3
	5 (9-10)	20	105.74	< 5.3
	6 (11-12)	20	105.74	< 5.3
	7 (13-14)	20	105.74	< 5.3
	8 (15-16)	20	105.74	< 5.3
6.25	1 (1-2)	20	98.23	< 5.3
	2 (3-4)	20	98.23	< 5.3
	3 (5-6)	20	98.23	< 5.3
	4 (7-8)	20	98.23	< 5.3
	5 (9-10)	20	98.23	< 5.3
	6 (11-12)	20	98.23	2212.98
	7 (13-14)	20	98.23	810.67
	8 (15-16)	20	98.23	114.08

 

 

Conclusion

The water solubility of the test item is below the detection limit of the analytical method (5.3 and 13.3 µg/L) and hence the substance appears insoluble in water.

With reference to column 2 of Annex VII to REACH “If the substance appears ‘insoluble’ in water, a limit test up to the detection limit of the analytical method shall be performed”, the water solubility of the test item is reported as < 13.3 µg/L (the higher of the two determined detection limits is chosen as a worst case evaluation).

The water solubility was determined at 20 °C. The pH value of the collected aqueous fractions was 6.3.

Description of key information

Water solubility: < 13.3 µg/L at 20 °C, pH = 6.3 (OECD guideline 105, column elution method)

Additional information

The water solubility of the test item is below the detection limit of the analytical method (5.3 and 13.3 µg/L) and hence the substance appears insoluble in water. The higher of the two determined detection limits is chosen as a worst case evaluation.