Benzene, 1-chloro-2,3-dimethyl-

Water solubility

Link to relevant study record(s)

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

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.