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Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

13 Nov 2018 - 27 Feb 2019

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

Measured concentrations differ by +/- 30%

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

Water solubility:

>= 70 - <= 175 µg/L

Temp.:

20 °C

pH:

6.3

Remarks on result:

other: formal mean value 91.9 µg/L

Results
The concentrations of the test item in the different test solutions were calculated automatically using the equation of the calibration curve. The results for the duplicate analyses are listed in the following table:

Flow rate 25.0 mL/h, pH 6.3 throughout

Fraction no. (combined aliquots)	Concentration of test item (µg) in 0.5 µL Peak 1^a	Concentration of test item (µg) in 0.5 µL Peak 2^b	Water solubility (µg/L)* peak 1^a	Water solubility (µg/L) peak 2^b
1 (11-12)	2.1	1.6	105	80
2 (13-14)	2.2	1.6	110	80
3 (15-16)	2.4	1.6	120	80
4 (17-18)	3.4	1.7	170	85
5 (19-20)	2.4	1.6	120	80
6 (21-22)	2.4	1.6	120	80
7 (23-24)	2.7	1.6	135	80
8 (25-26)	2.5	1.6	125	80

 

Flow rate 12.5 mL/h, pH 6.3 throughout

Fraction no. (combined aliquots)	Concentration of test item (µg) in 0.5 µL Peak 1^a	Concentration of test item (µg) in 0.5 µL Peak 2^b	Water solubility (µg/L)* peak 1^a	Water solubility (µg/L) peak 2^b
1 (11-12)	1.5	1.5	75	75
2 (13-14)	1.8	1.4	90	70
3 (15-16)	1.8	1.4	90	70
4 (17-18)	1.8	1.8	90	90
5 (19-20)	1.7	1.4	85	70
6 (21-22)	1.7	1.6	85	80
7 (23-24)	1.7	1.5	85	75
8 (25-26)	1.7	1.5	85	75

*the concentration is related to 20 mL water fraction

^ahexadecanoic acid methyl ester

^boctadecanoic acid methyl ester

 

Determination of the water solubility at a flow rate of 25.0 mL/h yielded values in a range of 80 µg/L to 170 µg/L and at a flow rate of 12.5 mL/h between 70 µg/L and 90 µg/L. In contradiction to the OECD Guideline 105 the concentrations differ by more than ± 30%. This is, however, due to the low solubility of the test item. Therefore, a larger difference has to be regarded as acceptable.

 

The following result for water solubility of the test item can thus be reported:

The water solubility ranges from 70 µg/L – 175 µg/L (formal mean value: 91.9 µg/L)

 

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

 

Please note: the investigated blank value yielded a concentration of the lowest concentration level.

 

Working range
The calibration curve fits over a range from 45 µg/L and 5410 µg/L (related to 20 mL of water) with r²= 0.0996 (peak 1) and r²= 0.998 (peak 2). A quadratic fit was used.

 

Recovery

In the course of the recovery experiment, an average recovery rate of 93% (peak 1) and 89% (peak 2) was determined.

Description of key information

91.9 µg/L at 20 °C and pH 6.3 (column elution method, OECD 105)

Key value for chemical safety assessment

Water solubility:

91.9 µg/L

at the temperature of:

20 °C

Additional information

The water solubility ranges from 70 µg/L to 175 µg/L (formal mean value: 91.9 µg/L).