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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 June 2016 to 04 October 2016
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
Water solubility:
< 0.001 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
0.1 g/L
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
3.9
Remarks on result:
other: positive mode
Water solubility:
< 0.057 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
0.1 g/L
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
3.9
Remarks on result:
other: negative mode
Key result
Water solubility:
0.016 g/L
Conc. based on:
other: Total Organic Carbon (TOC)
Loading of aqueous phase:
0.1 g/L
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
3.9
Details on results:
PRELIMINARY TEST
- The preliminary estimates of water solubility at 20.0 ± 0.5 °C are shown in Table 10 (below)

DEFINITIVE TEST
- Typical chromatograms are presented in Appendix 1 (attached).
- The mean total peak areas for the standard and sample solutions are shown in Table 11 (attached) for positive mode.
- The mean total peak areas for the standard and sample solutions are shown in Table 12 (attached) for negative mode.
- The calibration curves from which the sample concentrations were interpolated are presented in Figures 9 and 10 (attached).
- Results for total organic carbon analysis are shown in Table 13 (attached).
- Concentration (g/L) of test item in the sample solutions is shown in Table 14 (below).

TABLE 10 – PRELIMINARY ESTIMATES OF WATER SOLUBILITY

Loading rate (g/L)

Concentration (g/L)

Positive mode

Concentration (g/L)

Negative mode

Concentration (g/L)

TOC

0.1

1.62 x 10-3

6.27 x 10-2

1.78 x 10-2

1

1.77 x 10-4

0.226

7.01 x 10-2

TABLE 14 – CONCENTRATION OF TEST ITEM IN SAMPLE SOLUTIONS

Sample number

Concentration (g/L) Positive mode

Concentration (g/L) Negative mode

Concentration (g/L)

TOC

Solution pH

1

1.36 x 10-3

4.74 x 10-2

1.62 x 10-2

3.9

2

1.22 x 10-3

5.70 x 10-2

1.94 x 10-2

3.9

3

2.98 x 10-4

3.47 x 10-2

1.27 x 10-2

3.9

Overall concentration: < 1.36 x 10E-03 g/L at 20.0 ± 0.5°C (positive mode)

Overall concentration: < 5.70 x 10E-02 g/L at 20.0 ± 0.5°C (negative mode)

Overall concentration: 1.61 x 10E-02 g/L at 20.0 ± 0.5°C (TOC)

Conclusions:
With a nominal loading rate of 0.1 g/L, water solubility of the test item was determined by HPLC-MS to be < 1.36 x 10E-03 g/L (positive mode), < 5.7 x 10E-02 g/L (negative mode). The result was also expressed in terms of TOC as 1.61 x 10E-02 g/L at 20.0 ± 0.5 °C..
Executive summary:

GUIDELINE

The determination was carried by the flask method using a procedure designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

 

RESULTS

With a nominal loading rate of 0.1 g/L, water solubility of the test item was determined by HPLC-MS to be < 1.36 x 10E-03 g/L (positive mode), < 5.7 x 10E-02 g/L (negative mode). The result was also expressed in terms of TOC as 1.61 x 10E-02 g/L at 20.0 ± 0.5 °C.

Description of key information

With a nominal loading rate of 0.1 g/L, water solubility of the test item was determined by the flask methd and HPLC-MS analysis to be < 1.36 x 10E-03 g/L (positive mode), < 5.7 x 10E-02 g/L (negative mode). The result was also expressed in terms of TOC as 1.61 x 10E-02 g/L at 20.0 ± 0.5 °C (OECD 105 and EU Method A.6).

Key value for chemical safety assessment

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

Additional information

GUIDELINE

The determination was carried by the flask method using a procedure designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

 

RESULTS

With a nominal loading rate of 0.1 g/L, water solubility of the test item was determined by HPLC-MS to be < 1.36 x 10E-03 g/L (positive mode), < 5.7 x 10E-02 g/L (negative mode). The result was also expressed in terms of TOC as 1.61 x 10E-02 g/L at 20.0 ± 0.5 °C.