4'-methoxyacetophenone

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017-04-24 to 2017-04-28

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

adopted 1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

1 737 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

5 g/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 6.9 - <= 7.2

Remarks on result:

other: Rel. Standard Deviation = 4.4%

Details on results:

The concentration measured did not differ for more than 15 % (variation between the 24 hours and 72 hours assay was 10.6 %) and temperatures were kept constant. Thus, all validity criteria were fulfilled.

Table 1: Data of the Performance of the Water Solubility Test

Sample No.	72h – 1	72h – 2	48h – 1	48h – 2	24h – 1	24h - 2
Weighed amount of test item [mg]	510.13	515.32	513.69	514.57	528.51	519.18
Added volume of water [mL]	100	100	100	100	100	100
Loading rate [mg/L]	5101.3	5153.2	5136.9	5145.7	5285.1	5191.8
Agitation time at 30 °C [hours]	72	72	48	48	24	24
Equilibration time at 20 °C [hours]	24	24	24	24	24	24
pH value of test item solution	7.16	7.20	7.01	6.90	7.04	7.12

Table 2: Results of the Water Solubility of the test item

Sample No.	Shaking Time at 30 °C [hours]	Measured Concentration in Injected Sample [mg/L]	Dilution Factor	Determined Concentration in Water Sample[mg/L]	Water Solubility Mean Value [mg/L]	Overall Mean ± Std. Dev. [mg/L]	Rel. Std. Dev. [%]
72-1	72	37.7	50	1884	1842	1737± 76	4.4
72-2	72	36.0	50	1800
48-1	48	33.8	50	1691	1702
48-2	48	34.3	50	1713
24-1	24	33.6	50	1680	1665
24-2	24	33.0	50	1651

The tabulated values of the samples represent rounded results obtained by calculation using the exact data.

Conclusions:

The water solubility of the test item at 20 °C was found to be 1737 ± 76 mg/L.

Executive summary:

A study was conducted under GLP-conditions according to OECD Guideline 105 for Testing of Chemicals (adopted 1995) to determine the water solubility of the test item. The test was conducted at 20 °C. The test mixture replicates were shaken at about 30 °C for 24 hours, 48 hours and 72 hours, respectively, using a thermostated incubator (Infors HT Multitron Pro). Afterwards, the flasks were equilibrated for another 24 hours at 20 °C. The solutions were centrifuged at about 2465 g for about 10 minutes. An aliquot of 1 mL of the aqueous phase was taken and diluted to 50 mL with water/acetonitrile (1/1, v/v), resulting in a dilution factor of 50. The final solutions were analysed by HPLC with UV-detection. The solubility of the test item was determined as mean of the 24, 48 and 72 h time points to be 1737 ± 76 mg/L at 20 °C. All validity criteria of the guideline were fulfilled.

Description of key information

The solubility of the test item was determined to be 1737± 76 mg/L at 20 °C.

Key value for chemical safety assessment

Water solubility:

1 737 mg/L

at the temperature of:

20 °C

Additional information

A study was conducted under GLP-conditions according to OECD Guideline 105 for Testing of Chemicals (adopted 1995) to determine the water solubility of the test item. The test was conducted at 20 °C. The test mixture replicates were shaken at about 30 °C for 24, 48 and 72 hours, respectively, using a thermostated incubator. Afterwards, the flasks were equilibrated for another 24 hours at 20 °C. The solutions were centrifuged at about 2465 g for about 10 minutes. An aliquot of 1 mL of the aqueous phase was taken and diluted to 50 mL with water/acetonitrile (1/1, v/v), resulting in a dilution factor of 50. The final solutions were analysed by HPLC with UV-detection. The solubility of the test item was determined as mean of the 24, 48 and 72 h time points to be 1737± 76mg/L at 20 °C. All validity criteria of the guideline were fulfilled.