4-(4-methoxyphenyl)butan-2-one

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2016 -01 -25 to 2016 -01 -29

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

2.15 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

10 g/L

Incubation duration:

24 - 72 h

Temp.:

20 °C

pH:

6.8

Remarks on result:

other: mean

Details on results:

Please see the results details under the section "Any other information on results" section

1. Preliminary test (non-GLP):

The determination solubility in double distilled water was in the range of 1.32 - 2.11 g/L. For the application dose for the definitive study, 10 g/L, as ca. the fivefold of the maximum solubility result, was used.

2. Method validation:

- Detection limits: LOD = 0.1 mg/L

- System quantification limit: 1 mg/L (= 10 x LOD)

- Linearity: linear response in the range of nominal 1 - 100 mg/L with r2 > 0.992

- Limit of quantification: LOQ = 2 mg/L

- Accuracy: mean recovery rates of 101% at 1 x LOQ and 102% at 10 x LOQ

- Precision: coefficient of determination <= 2.2%

- Specificity: identity of test item signals demonstrated by automatic comparisson of sample peaks against spectra obtained from standard peaks.

- Check of Tyndall-Effect: negative in all replicates and at all time points

3. Water solubility results;

Water solubility has been measured at 20°C:

Preincubation time	Replicate No.	Test substance
		Concentration (g/L)*	Mean
24 h	1	2.17	2.16
	2	2.16
48h	1	2.16	2.16
	2	2.16
72h	1	2.11	2.14
	2	2.17
Mean (24-72h)			2.15
Deviation (%) (24-72h)**			1.1

* Mean value of double injection, dilution factor of 40 and exact weights taken into account

** Calculated according to formula deviation [%]= 100x(max value-min value) / min value

Validity Criteria:

Repeatability: The concentration measured in at least the samples with the two longest incubation times (48 and 72h) should not differ by more than 15%.

Temperatures: Temperatures should be kept constant within +- 0.5°C

Conclusions:

The solubility of the test item was determined at 20 +- 0.5°C to be 2.15 g/L (pH 6.8). The test item can be considered as soluble.

Executive summary:

The water solubility of the test substance was determined according to OECD test guideline 105 (1995) and Council Regulation (EC) No. 260/2014, Method A.6.

The solubility of the test substance was determined using the flask method at 20 +- 0.5 °C with pre-incubation at 30 +- 0.5°C.

The water solubility of the test substance was determined to be 2.15 g/L (20°C, pH 6.8).

Description of key information

The water solubility of the test substance was determined to be 2.15 g/L (20 °C, pH 6.8).

Key value for chemical safety assessment

Water solubility:

2.15 g/L

at the temperature of:

20 °C

Additional information

The water solubility of the test substance was determined according to OECD test guideline 105 (1995) and Council Regulation (EC) No. 260/2014, Method A.6.

The solubility of the test substance was determined using the flask method at 20 +/- 0.5 °C with pre-incubation at 30 +/- 0.5 °C.

The water solubility of the test substance was determined to be 2.15 g/L (20 °C, pH 6.8).