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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
April 17, 2006 to May 9, 2006
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Version / remarks:
U.S. Environmental Protection Agency. 1996. Water Solubility: Column Elution Method; Shake Flask Method. Product Properties Test Guidelines. OPPTS 830.7840.
Deviations:
not specified
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
Organisation for Economic Cooperation and Development. 1995. Guideline for Testing of Chemicals, 105: Water Solubility.
Deviations:
not specified
GLP compliance:
yes
Type of method:
flask method
Specific details on test material used for the study:
No further details specified in the study report
Key result
Water solubility:
120 mg/L
Conc. based on:
test mat.
Incubation duration:
24 h
Temp.:
20 °C
pH:
7
Details on results:
Triplicate subsamples were removed from the appropriate solubility sample replicates after 24, 48 and 72 hours of shaking in a water bath maintained at 30 ± 1.0°C. Following a 24 hour equilibration period for each of the test vessels at 20 ± 0.5°C, triplicate aliquots were removed and analyzed for PHT4. The mean measured concentrations determined for the first, second and third intervals were 96.7 ± 0.440 mg/L, 124 ± 0.351 mg/L and 116 ± 3.91 mg/L, respectively. As the acceptance criterion for determining solubility is two consecutive intervals with results differing by no more than 15%, the definitive solubility of PHT4 was calculated as the mean concentration of the six values obtained from the second and third sampling intervals, or 120 ± 4.48 mg/L (CV=3.74, n=6).

Solubility of PHT4 in HPLC-grade Water

Sample Number (616C-109-)

Days at 30 °C

Concentration of PHT4

Mean Concentration by Interval

(mg/L)

Fortified (mg/L)

Measured (mg/L)

A1

A2

A3

1

1

1

500

500

500

97.11

96.21

96.81

96.7

B1

B2

B3

2

2

2

500

500

500

125

124

124

124

C1

C2

C3

3

3

3

500

500

500

116

115

116

116

Mean Solubility (mg/L) =

Standard Deviation =

Coefficient of Variation (%) =

Number =

120

4.48

3.74

6

 

1Results outside acceptance criteria of 15% and not included in the calculation of mean solubility.

Results were generated using Excel 2000 in full precision mode. Manual calculations with rounded values may differ slightly.

 

Conclusions:
The solubility of PHT4 in HPLC-grade water was determined to be 120 ± 4.48 mg/L (CV=3.74, n=6).
Executive summary:

The solubility of PHT4 was determined in HPLC-grade water at 20 °C using the shake flask method. Samples were prepared for HPLC/UV analysis by diluting triplicate centrifuged aliquots from each test vessel, at each sampling interval, into the range of calibration standards for analysis. The solubility of PHT4 in HPLC-grade water was calculated as the mean PHT4 concentration determined in six samples over the course of two sampling intervals.

The solubility of PHT4 was determined to be 120 ± 4.48 mg/L (CV = 3.74, n=6).

Description of key information

The solubility of PHT4 was determined to be 120 ± 4.48 mg/L (CV = 3.74, n=6).

Key value for chemical safety assessment

Water solubility:
120 mg/L
at the temperature of:
20 °C

Additional information

The solubility of PHT4 was determined in HPLC-grade water at 20 °C using the shake flask method. Samples were prepared for HPLC/UV analysis by diluting triplicate centrifuged aliquots from each test vessel, at each sampling interval, into the range of calibration standards for analysis. The solubility of PHT4 in HPLC-grade water was calculated as the mean PHT4 concentration determined in six samples over the course of two sampling intervals.

The solubility of PHT4 was determined to be 120 ± 4.48 mg/L (CV = 3.74, n=6).