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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:
2003-04-05 to 2004-05-31
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1993
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Key result
Water solubility:
20.1 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
0.025 other: mL test item per mL of water
Incubation duration:
>= 5 - <= 7.1 h
Temp.:
24 °C
Remarks on result:
other: No data on pH; however, the test item is non-ionisable, and pure water was used. As such, pH must have been in the neutral range.
Details on results:
The average test item concentrations (20.0 ± 0.4 µg/mL and 20.3 ± 0.5 µg/mL) of the test solutions which were mixed for 5.0 h and 7.1 h, respectively, were not significantly different, indicating, along with the presence of undissolved test item, that these test solutions were saturated with test item.

Calibration curve and detection limit (DL):

The calibration curve (peak area vs. test item concentration [µg/ml] on abscissa) from the calibration solutions showed a linear relationship with a correlation coefficient of 0.9999, indicating acceptable method precision for the analysis of the test item in CH3CN solutions.

Regression equation:

Y= 66.553*X + 24.028

The DL was estimated from the chromatograms of calibration solutions as the lowest test item concentration that would give a peak which is reliably distinguishable from the baseline signal. The DL was 0.4 µg/mL (corresponding to 4 ng of test item injected on-column) for the detection of test item in CH3CN solution.

Test Results:

Undissolved test item was observed in all of the test solutions after mixing, which was required for these solutions to be saturated with test item.

The 1-chloro-2,3-dimethylbenzene concentrations in the corresponding Test solutions are listed in the table below. The average test item concentrations (20.0 ± 0.4 µg/mL and 20.3 ± 0.5 µg/mL) of the test solutions which were mixed for 5.0 h and 7.1 h, respectively, were not significantly different, indicating, along with the presence of undissolved test item, that these test solutions were saturated with test item. The reported solubility of 1-chloro-2,3-dimethylbenzene was calculated as the average observed concentration in the Y2 and Y3 test solutions, which was 20.1 ± 0.4 mg/L at 24.0 °C .

Observed test item concentrations in test solutions:

Label

HPLCPeakArea

Test item conc. (mg/L)

 

 

 

Mixing
Time (h)

Average

SD

%RSD

 

Y1a

1248

18.40

 

 

 

2.0

Y1b

1353

19.97

 

 

 

2.0

Y1c

1289

19.00

19.1

0.8

4%

2.0

Y2a

1386

20.46

 

 

 

5.0

Y2b

1352

19.95

 

 

 

5.0

Y2c

1329

19.61

20.0

0.4

2%

5.0

Y3a

1401

20.68

 

 

 

7.1

Y3b

1383

20.42

 

 

 

7.1

Y3c

1339

19.76

20.3

0.5

2%

7.1

 

Average 2a to 3c

20.1

 

 

 

 

 

SD 2a to 3c

0.4

 

 

 

 

 

%RSD

2%

 

 

 

 

Conclusions:
Water solubility (OECD 105): 20.1 +/- 0.4 mg/L at 24°C
Executive summary:

The water solubility of the test substance 1-chloro-2,3-dimethylbenzene was determined according to OECD 105 compliant with GLP. The test item in excess was mixed with water for various times. The aqueous solutions were analyzed by high-performance liquid chromatography. The observed water solubility of 1-chloro-2,3-dimethylbenzene was 20.1 ± 0.4 mg/L at 24.0 °C.

Description of key information

Water solubility (OECD 105): 20.1 +/- 0.4 mg/L at 24°C

Key value for chemical safety assessment

Water solubility:
20.1 mg/L
at the temperature of:
24 °C

Additional information

The water solubility of the test substance 1-chloro-2,3-dimethylbenzene was determined according to OECD 105 compliant with GLP. The test item in excess was mixed with water for various times. The aqueous solutions were analyzed by high-performance liquid chromatography. The observed water solubility of 1-chloro-2,3-dimethylbenzene was 20.1 ± 0.4 mg/L at 24.0 °C.