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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:
1988-06-18 to 1988-06-20
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Guideline study (GLP)
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
See methods section
Qualifier:
according to
Guideline:
other: US EPA (Fed Reg v50,188, section 796.1860, 27 Sept 1985
Deviations:
yes
Remarks:
See methods section
GLP compliance:
yes (incl. certificate)
Type of method:
column elution method
Water solubility:
3.99 mg/L
Temp.:
25 °C
pH:
5
Water solubility:
4.11 mg/L
Temp.:
25 °C
pH:
7
Water solubility:
4.69 mg/L
Temp.:
25 °C
pH:
9

Results:

For the water solubility determination at pH 5, samples were taken in duplicate at each time point. The total number of concentration measurements which were included in the mean water solubility at pH 5 was 16, resulting in a mean water solubility of 3.99 mg/L with a standard deviation of 0.40. For the water solubility determination at pH 7, two separate columns were established and analyzed separately with signal determination at each time point for each column. The total number of concentration measurements which were included in the mean water solubility at pH 7 was 14, resulting in a mean water solubility of 4.11 mg/L with a standard deviation of 0.46. For the water solubility determination at pH 9, samples were taken in triplicate at each time point. The total number of concentration measurements which were included in the mean water solubility at pH 9 was 12, resulting in a mean water solubility of 4.69 mg/L with a standard deviation of 0.32.

Analytical results for the water solubility determination of 2,6-di-tert-butylphenol at pH 5. The column was allowed to equilibrate for 5 minutes at 1 mL/min before samples were taken for analysis.

Time after equilibration in minutes

Concentration of 2,6-DTBP in mg/L

0

4.75

0

4.10

10

3.03

10

4.17

25

3.69

25

3.61

40

4.31

40

4.07

55

4.18

55

4.10

70

4.26

70

3.83

100

4.17

100

3.40

160

4.09

160

4.07

Mean = 3.99 mg/L (n=16)

Standard deviation = 0.40

Analytical results for the water solubility determination of 2,6-di-tert-butylphenol at pH 7. The column was allowed to equilibrate for 5 minutes at 1 mL/min before samples were taken for analysis.

Time after equilibration in minutes

Concentration of 2,6-DTBP in mg/L

0

37.6a

0

3.30

10

3.63

10

4.23

20

3.73

20

4.20

30

3.30

30

4.10

40

4.14

40

4.35

60

4.34

75

4.69

90

4.34

100

4.59

120

2.46b

120

4.66

137

3.58b

Mean = 4.11 mg/L (n=14)

Standard deviation = 0.46

a– not included in the mean because test material was probably supersaturated.

b– not included in the mean because test material probably depleted by this time on this column. Two separate columns were run for this pH.

Analytical results for the water solubility determination of 2,6-di-tert-butylphenol at pH 9. The column was allowed to equilibrate for 5 minutes at 1 mL/min before samples were taken for analysis.

Time after equilibration in minutes

Concentration of 2,6-DTBP in mg/L

0

3.96

0

4.53

0

4.54

15

4.66

15

4.73

15

5.17

35

4.57

35

4.80

35

4.86

65

5.22

65

4.66

65

4.63

Mean = 4.69 mg/mL (n=12)

Standard deviation = 0.32

Conclusions:
Interpretation of results: slightly soluble (0.1-100 mg/L)
Executive summary:

The purpose of this study was to determine the water solubility of 2,6-di-tert-butylphenol (2,6-DTBP) at pH 5, 7, and 9 using the water column generator method. The water solubility of 2,6-DTBP in water (25±0.5°C) at pH 5, 7, and 9 is as follows:

pH 5

pH 7

pH 9

Solubility (mg/L)

3.99

4.11

4.69

Standard deviation

0.40

0.46

0.32

Number of analyses

16

14

12

Description of key information

The water solubility of 2,6 -di-tert-butylphenol  is 4.11 mg/l at 25°C (pH7).

Key value for chemical safety assessment

Water solubility:
4.11 mg/L
at the temperature of:
25 °C

Additional information

In a Klimisch1 GLP-study the water solubility of 2,6 -di-tert-butylphenol (2,6 -DTBP) was determined at 25°C and at pH 5, 7, and 9 using the water column generator method to be 3.99, 4.11 and 4.69 mg/L, respectively. The results are considered relevant and reliable for the risk assessment.