2-ethyl-N-(3-methoxyphenyl)-N-methylbutanamide

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental starting date: 17 July 2017. Experimental completion date: 08 August 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The study is considered to be a reliability 1 as it has been conducted according to OECD TG 105 using the flask method and in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes

Type of method:

flask method

Specific details on test material used for the study:

Identification: FRET 15-0735
Appearance/physical state: clear, colorless liquid
Storage conditions: approximately 4 °C, in the dark

Water solubility:

1.42 g/L

Temp.:

20 °C

pH:

>= 5.2 - <= 5.8

Details on results:

Preliminary test:
The preliminary estimate of water solublity was 1.44 g/L at 20 °C.

Validation
The linearity of the detector response with respect to concentration was assessed over a nominal concentration range of 50 to 250 mg/L. The results were satisfactory with a first order correlation coefficient (r) of 0.9999 being obtained.

Discussion
On completion of the equilibration period, the samples were clear and colorless with excess test item present at the bottom of the test vessels. After centrifugation, the isolated supernatants were visually observed to be clear, colorless solutions, free from excess undissolved test item, prior to analysis.
On analysis, sample solution 2, replicate dilution A appeared erroneous and was identified as a statistically significant outlier on evaluation using Grubbs’ test (P = 0.05). This value was therefore not considered during calculation of the individual sample solution mean concentrations or the overall test result. This exclusion was concluded not to impact on the validity of the study, with sample solution 1 and sample solution 3, representing bracketing shorter and longer initial saturation periods, both giving consistent duplicate replicate dilutions, which were also consistent with the retained single dilution for sample solution 2.
All individual water solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guidelines.

Definitive test:

The mean peak heights relating to the standard and sample solutions are shown in table below.

Solution	Mean peakarea
Standard Solution, 157 mg/L	1.4169 x 10^7
Standard Solution, 159 mg/L	1.4363 x 10^7
Matrix Blank Solution	no significant response
Sample Solution 1, Replicate Dilution A	1.2942 x 10^7
Sample Solution 1, Replicate Dilution B	1.2760 x 10^7
Sample Solution 2, Replicate Dilution A	6.4542 x 10^6^[1]
Sample Solution 2, Replicate Dilution B	1.2929 x 10^7
Sample Solution 3, Replicate Dilution A	1.2754 x 10^7
Sample Solution 3, Replicate Dilution B	1.2779 x 10^7

The concentration (g/l) of test material in the sample solutions is shown in the table below.

Sample number	Time shaken at 30 ºC (hours)	Time equilibrated at 20 ºC (hours)	Concentration (g/L)	Solution pH
1	24	24	1.42	5.8
2	48	24	1.43	5.8
3	72	24	1.41	5.2

Mean concentration : 1.42 g/L at 20.0 ± 0.5 ºC

Range : 1.41 to 1.43 g/L

Standard deviation : 9.1 x 10 ^-3 g/L

Conclusions:

The water solubility of FRET 15-0735 was determined to be 1.42 g/L @ 20 ± 0.5 °C using OECD TG 105 (Water solubility) using the flask method in compliance with GLP.

Executive summary:

The water solubility of FRET 15 -0735 was determined to be 1.42 g/L @ 20°C using OECD TG 105 and according to GLP, using the flask method.

Description of key information

The water solubility of FRET 15-0735 was determined to be 1.42 g/L @ 20°C using OECD TG 105 using the flask method.

Key value for chemical safety assessment

Water solubility:

1.42 mg/L

at the temperature of:

20 °C