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Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

12 Jan 2021 - 24 Dec 2021

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: Method A2 of ASTM international E 1148 – 02

GLP compliance:

yes (incl. QA statement)

Type of method:

other: turbidity method

Key result

Water solubility:

0 g/L

Conc. based on:

test mat.

Incubation duration:

24 h

Temp.:

20 °C

pH:

6.8

The results of the test on the determination of the turbidity for the test samples are given in the table below. It was decided to correct for the mean turbidity of the blank samples. Samples at a test material concentration of ≥644 mg/L were omitted from the curve because using them resulted in a negative water solubility.

In the concentration range of 0.00982 to 227 mg/L, a linear relationship between response and test material concentration was observed. The equation of the regression line was:

Y = 0.0900 x A – 0.640 (r = 0.993, n = 16), where Y is the turbidity measured in NTU and A

is the nominal concentration of the test material.

Since the slope and fit of the curve changes at low concentration levels, the water solubility was not calculated with the equation of the curve. The sample with “zero turbidity” was analyzed with the validated UPLC-MS/MS method.

 

Turbidity of Test Material Solutions

Nominal concentration [mg/L]	Turbidity [NTU]	Corrected turbidity 1 [NTU]
644	59.2	59.1
644	59.6	59.5
227	14.2	14.1
227	14.3	14.2
28.4	1.77	1.68
28.4	1.66	1.57
9.82	1.08	0.986
9.82	1.07	0.976
0.982	0.515	0.421
0.982	0.533	0.439
0.196	0.315	0.221
0.196	0.304	0.210
0.0393	0.202	0.108
0.0393	0.199	0.105
0.00982	0.101	0.00650
0.00982	0.104	0.00950
0	0.093	n.a.
0	0.096	n.a.

 

1 Corrected for the mean turbidity of the blank samples.

n.a. Not applicable.

 

 

Water Solubility of the Test Material

Target concentration [g/L]	Analyzed concentration [g/L]	Mean [g/L]	pH
10 x 10-6 10 x 10-6	8.34 x 10-6 8.60 x 10-6	8.47 x 10-6	6.8 6.8

 

Executive summary:

A method based on Method A2 of ASTM International E 1148 – 02 guideline was applied for the determination of the water solubility of MDEA-Esterquat C18 unsatd. The samples at the lowest target concentration (i.e., 0.01 mg/L) were analyzed using the validated UPLC-MS/MS method.
The water solubility of the test material at 20°C was 8.47 x 10-6 g/L. The pH of the aqueous sample was 6.8.

Description of key information

8.47E-06 g/L at 20°C, pH 6.8 (Method A2 of ASTM International E 1148 – 02)

Key value for chemical safety assessment

Water solubility:

0 g/L

at the temperature of:

20 °C

Additional information

A method based on Method A2 of ASTM International E 1148 – 02 guideline was applied for the determination of the water solubility of MDEA-Esterquat C18 unsatd. The samples at the lowest target concentration (i.e., 0.01 mg/L) were analyzed using the validated UPLC-MS/MS method.
The water solubility of the test material at 20°C was 8.47E-06 g/L. The pH of the aqueous sample was 6.8.