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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:
2000-06-05 to 2000-08-18
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Key result
Water solubility:
104 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
2 500 g/L
Incubation duration:
72 h
Temp.:
20 °C
pH:
3
Details on results:
The water solubility of the test item was calculated to be 104 g/L (n=6, 2.3 g/L standard deviation) at 20 °C ± 1 °C.

Result of the Preliminary Test: 

The water solubility of 3,4,5-Trifluorphenol was estimated to be higher than 0.1 g/L.

 

Result of the Main Test:

The saturation concentration of the test item was estimated using HPLC method. A chromatographic signal occurred at a retention time of about 4.88 min. The linearity of the analytical method was proved in the concentration range from 10 to 130 mg test item. The regression coefficient was determined to be at least 0.99. A typical calibration curve and typical chromatograms are shown in figures 1 to 4. No differences higher than 12 % were found between samples 1, 2, 3, 4, 5 and 6. Therefore the study is considered to be value. Corresponding to the analysis the water solubility of the test item was calculated to be 104 g/L.

 

Sample No

Shaking Time at 30 °C [h]

Initial weight of Test Item [g]

Initial Water Volume [mL]

Measured pH after Incubation

Concentration Test Item found [g/L]

1

72

2.69

10

3

104.0

2

72

2.66

10

3

100.5

3

48

2.53

10

3

104.9

4

48

2.63

10

3

102.0

5

24

2.53

10

3

106.1

6

24

2.65

10

3

106.3

  

In conclusion, the water solubility of the test item was calculated to be 104 g/L (n=6, 2.3 g/L standard deviation) at 20 °C ± 1 °C.

Conclusions:
The water solubility of the test item was determined to be 104 g/L at 20 °C and ph = 3.
Executive summary:

The water solubility was determined according to OECD 105 using the shake flask method with HPLC analysis. About 2.5 g test substance was weighed into 10 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the preliminary test. The flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C and the concentration in the clear aqueous phase was determined by HPLC. The other flasks were treated similarly after initial equilibration at 30 °C for two and three days, respectively. The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded. The water solubility of the test substance was determined to be 104 g/L at 20 °C ± 1 °C and pH 3.

Description of key information

The water solubility of the test item was determined to be 104 g/L at 20 °C and ph = 3 (reference 4.8 -1).

Key value for chemical safety assessment

Water solubility:
104 g/L
at the temperature of:
20 °C

Additional information

The water solubility was determined according to OECD 105 using the shake flask method with HPLC analysis (reference 4.8 -1). About 2.5 g test substance was weighed into 10 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the preliminary test. The flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C and the concentration in the clear aqueous phase was determined by HPLC. The other flasks were treated similarly after initial equilibration at 30 °C for two and three days, respectively. The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded. The water solubility of the test substance was determined to be 104 g/L at 20 °C ± 1 °C and pH 3.