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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
14 Sep - 27 Nov 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose:
reference to same study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
no
Type of method:
column elution method
Water solubility:
< 165 µg/L
Temp.:
20 °C
pH:
6.3

Working range

The calibration curve fits over a range from 165 µg/L and 3650 µg/L (related to 20 mL of water) with r² = 0.997 (Peak 1) and r² = 0.999 (Peak 2). A linear fit was used.

 

Recovery

In the course of the recovery experiment, an average recovery rate of 115% (Peak 1) and 112% (Peak 2) was determined.

 

Study 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
[mL/h]

Fraction No.
(combined
aliquots)

Concentration of test
item [µg]1)

Water Solubility
[µg/L]

pH value

Peak 12)

Peak 23)

Peak 12)

Peak 23)

25.0

1 (11-12)

< 3.3

< 3.3

< 165

< 165

6.3

 

2 (13-14)

< 3.3

< 3.3

< 165

< 165

6.3

 

3 (15-16)

< 3.3

< 3.3

< 165

< 165

6.3

 

4 (17-18)

< 3.3

< 3.3

< 165

< 165

6.3

 

5 (19-20)

< 3.3

< 3.3

< 165

< 165

6.3

 

6 (21-22)

< 3.3

< 3.3

< 165

< 165

6.3

 

7 (23-24)

< 3.3

< 3.3

< 165

< 165

6.3

 

8 (25-26)

< 3.3

< 3.3

< 165

< 165

6.3

12.5

1 (11-12)

< 3.3

< 3.3

< 165

< 165

6.3

 

2 (13-14)

< 3.3

< 3.3

< 165

< 165

6.3

 

3 (15-16)

< 3.3

< 3.3

< 165

< 165

6.3

 

4 (17-18)

< 3.3

< 3.3

< 165

< 165

6.3

 

5 (19-20)

< 3.3

< 3.3

< 165

< 165

6.3

 

6 (21-22)

< 3.3

< 3.3

< 165

< 165

6.3

 

7 (23-24)

< 3.3

< 3.3

< 165

< 165

6.3

 

8 (25-26)

< 3.3

< 3.3

< 165

< 165

6.3

1)the concentration is related to 20 mL water fraction.

2)Methyl octanoate.

3)Methyl decanoate

 

According the OECD 105, the water solubility at both flow rates yielded values below the limit of quantification (LOQ) at the concentration plateau of five successive fractions.

 

The water solubility of the test item was determined as < 165 µg/L

 

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

 

pH value of HPLC water: 6.3

Description of key information

Water solubility: < 165 µg/L at 20 °C, pH 6.3 (OECD Guideline 105, column elution method)

Key value for chemical safety assessment

Additional information

The water solubility of the test item is below the detection limit of the analytical method.