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Diss Factsheets

Physical & Chemical properties

Water solubility

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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009
Report date:
2010

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method

Test material

Constituent 1
Reference substance name:
Reference substance 002
Cas Number:
97780-06-8
Test material form:
solid
Details on test material:
- Purity: 100%

Results and discussion

Water solubilityopen allclose all
Key result
Water solubility:
0.017 g/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
6.69
Remarks on result:
other: 0.0168 ± 0.0012
Remarks:
Milli-Q water
Key result
Water solubility:
0.001 g/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
4
Remarks on result:
other: 0.00056 ± 0.00002
Key result
Water solubility:
0.223 g/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
7
Remarks on result:
other: 0.2227 ± 0.0008
Key result
Water solubility:
1.858 g/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
9
Remarks on result:
other: 1.8584 ± 0.0308

Any other information on results incl. tables

Milli-Q Water

The overall mean solubility of the test item in Milli-Q water was determined to be 0.0168 ± 0.0012 g/L at 20 ± 0.5°C. The successive analysed values showed a percent difference in mean solubility on different days, in the range of 2.2 to 14% and the test item was considered to be at equilibrium as the difference in concentration of the test item in the supernatants between the sampling intervals was less than 15%.

pH 4.0 Buffer

The overall mean solubility of the test item in pH 4.0 buffer was determined to be 0.00056 ± 0.00002 g/L at 20 ± 0.5°C. The successive analysed values showed a percent difference in mean solubility on different days, in the range of 1.8 to 3.4% and the test item was considered to be at equilibrium as the difference in concentration of the test item in the supernatants between the sampling intervals was less than 15%.

 pH 7.0 Buffer

The overall mean solubility of the test item in Milli-Q water was determined to be 0.2227 ± 0.0008 g/L at 20 ± 0.5°C. The successive analysed values showed a percent difference in mean solubility on different days, in the range of 0.0 to 0.4% and the test item was considered to be at equilibrium as the difference in concentration of the test item in the supernatants between the sampling intervals was less than 15%.

pH 9.0 Buffer

The overall mean solubility of the test in pH 9.0 buffer was determined to be 1.8584 ± 0.0308 g/L at 20 ± 0.5°C. The successive analysed values showed a percent difference in mean solubility on different days, in the range of 0.6 to 1.8% and the test item was considered to be at equilibrium as the difference in concentration of the test item in the supernatants between the sampling intervals was less than 15%.

SOLVENT

REPLICATION

SOLUBILITY(G/L)

SAMPLINGDURATION

OVERALLMEAN

24 HOUR

48 HOUR

72 HOUR

Milli-Q Water

R1

0.0153

0.0178

0.0174

0.0168 ± 0.0012

R2

0.0145

0.0175

0.0174

R3

0.0162

0.018

0.0175

Mean ± s.d.

0.0153 ± 0.0009

0.0178 ± 0.0003

0.0174 ± 0.0001

pH 4.0 Buffer Solution

R1

0.00054

0.00057

0.00058

0.00056 ± 0.00002

R2

0.00055

0.00055

0.00058

R3

0.00055

0.00055

0.00059

Mean ± s.d.

0.00055 ± 0.00001

0.00056 ± 0.00001

0.00058 ± 0.00001

pH 7.0 Buffer Solution

R1

0.2224

0.2219

0.2226

0.2227 ± 0.0008

R2

0.2231

0.2243

0.2222

R3

0.2234

0.2227

0.2219

Mean ± s.d.

0.2230 ± 0.0005

0.2230 ± 0.0012

0.2222 ± 0.0004

pH 9.0 Buffer Solution

R1

1.8708

1.8503

1.8054

1.8584 ± 0.0308

R2

1.8778

1.883

1.8094

R3

1.8826

1.8644

1.8818

Mean ± s.d.

1.8771 ± 0.0059

1.8659 ± 0.0164

1.8322 ± 0.0430

Applicant's summary and conclusion

Conclusions:
Mean water solubility of the test item in Milli-Q water, buffer solutions of pH 4.0, 7.0, and 9.0 was 0.0168 ± 0.0012, 0.00056 ± 0.00002, 0.2227 ± 0.0008 and 1.8584 ± 0.0308 g/L, respectively at 20 ± 0.5°C.
Executive summary:

This study was conducted to determine the water solubility of the test substance. The water solubility was determined according to Organization for Economic Co-operation and Development Guidelines – OECD 105 and OPPTS 830.7840. The solubility of the test substance was studied in Milli-Q water, buffer solutions of pH 4, 7, and 9 at 20 ± 0.5°C, using the shake flask method. The samples were analysed by high-performance liquid chromatography.

Mean water solubility of the test item in Milli-Q water, buffer solutions of pH 4, 7, and 9 was 0.0168 ± 0.0012, 0.00056 ± 0.00002, 0.2227 ± 0.0008 and 1.8584 ± 0.0308 g/L in Milli-Q water, buffer solutions of pH 4, 7 and 9, respectively at 20 ± 0.5°C.