2-Propenoic acid, methyl ester, reaction products with 2-ethyl-1-hexanamine and sodium hydroxide

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

2012-10-04

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

test procedure in accordance with generally accepted scientific standards and described in sufficient detail

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Principles of method if other than guideline:

The substance has been mixed with double distilled water at different ratios in order to determine the water solubility.

GLP compliance:

no

Type of method:

other: See description below

Water solubility:

760 g/L

Temp.:

20 °C

pH:

ca. 7

Remarks on result:

other: pH was not adjusted.

Conclusions:

Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The water solubility of the substance is determined to 760 g/L.

Executive summary:

The water solubility of the substance is determined to 760 g/L.

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

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

Specific details on test material used for the study:

- Composition of test material: Sodium-2-ethylhexyliminomonopropionate and Sodium-2-ethylhexyliminodipropionate
- Analytical purity: >=98%
- Purity test date: 13 December 2017
- Lot/batch No.: WI6K21X06-FD2
- Expiration date of the lot/batch: 05 December 2018
- Appearance: White paste
- Storage: At room temperature

Key result

Water solubility:

>= 629 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

11

Preliminary Test

> Results based on the response of Sodium-2-Ethylhexyliminopropionate (m/z 202.1)

The content of test item dissolved in the water sample was 388 g/L.

> Results based on the response of Sodium-2-Ethylhexyliminodipropionate (m/z 274.2)

The content of test item dissolved in the water sample was 383 g/L.

Main Study

> Results based on the response of Sodium-2-Ethylhexyliminopropionate (m/z 202.1)

The results for the samples taken at 24, 48 and 72 hours are given in the table below. The solubility is reported as greater than or equal to since the solutions were not saturated 5 times due to the nature of test item (gel is formed). The maximum difference of the concentrations determined in the 24, 48 and 72 hour test samples was ≤ 15%. Based on this, the water solubility of the test item is given as the mean value of the analyzed concentrations.

Stirring time [hours]	Analyzed concentrations^1 [g/L]	Mean [g/L]	Maximum difference [%]	pH
24 48 72	≥ 683 ≥ 640 ≥ 625	≥ 650	8.9	11.0 11.0 11.0

¹ Extrapolated from response for m/z 202.1

> Results based on the response of Sodium-2-Ethylhexyliminodipropionate (m/z 274.2)

The results for the samples taken at 24, 48 and 72 hours are given in the table below. The solubility is reported as greater than or equal to since the solutions were not saturated 5 times due to the nature of test item (gel is formed). The maximum difference of the concentrations determined in the 24, 48 and 72 hour test samples was ≤ 15%. Based on this, the water solubility of the test item is given as the mean value of the analyzed concentrations.

Stirring time [hours]	Analyzed concentrations^2 [g/L]	Mean [g/L]	Maximum difference [%]	pH
24 48 72	≥ 663 ≥ 614 ≥ 611	≥ 629	8.2	11.0 11.0 11.0

² Extrapolated from response for m/z 274.2

Overall Results

Based on the response (i.e. peak area) of Sodium-2-Ethylhexyliminopropionate (m/z 202.1), the water solubility of the test item as a whole is calculated to be ≥ 650 g/L. Based on the response of Sodium-2-Ethylhexyliminodipropionate (m/z 274.2), the water solubility of the test item as a whole is calculated to be ≥ 629 g/L. No matter which response was used for calculations (m/z 202.1 or m/z 274.2), the calculated water solubility values for the test item are consistent, indicating that the limit of solubility was not reached for any of the constituents. The water solubility of the test item at 20°C can be reported to be ≥ 629 g/L. According to the composition of the test item, it can be deduced that the water solubility of Sodium-2-Ethylhexyliminopropionate (m/z 202.1) at 20°C is ≥429 g/L (based on analytical composition) while the water solubility of Sodium-2-Ethylhexyliminodipropionate (m/z 274.2) at 20°C is ≥193 g/L (based on analytical composition).

Conclusions:

The flask method was applied for the determination of the water solubility of the test item. The water solubility of the test item at 20°C was ≥ 629 g/L. The pH of the aqueous samples was 11.0.

Executive summary:

The water solubility of the test item was determined in a GLP-compliant study performed in accordance with EU Method A.6 and OECD Guideline No. 105. The solubility in water of the test item was assessed to be ≥ 629 g/L at 20°C.

Reference 3

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

March 09, 2018 - June 11, 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

comparable to guideline study

Qualifier:

according to guideline

Guideline:

other: OECD harmonized ring method

Deviations:

no

Principles of method if other than guideline:

The Critical Micelle Concentration (CMC) was determined by measuring the surface tension of test item solutions at different test item concentrations. The surface tension of the test item solutions was determined using the OECD harmonized ring method.

GLP compliance:

yes (incl. QA statement)

Type of method:

other: OECD harmonized ring method

Specific details on test material used for the study:

- Composition of test material: Sodium-2-ethylhexyliminomonopropionate and Sodium-2-ethylhexyliminodipropionate
- Analytical purity: >=98%
- Purity test date: 13 December 2017
- Lot/batch No.: WI6K21X06-FD2
- Expiration date of the lot/batch: 05 December 2018
- Appearance: White paste
- Storage: At room temperature

Water solubility:

763 mg/L

Conc. based on:

other: surface tension

Remarks on result:

other: Critical Micelle Concentration (CMC)

Preliminary data

According to the preliminary data, an estimated CMC of 1340 mg/L was obtained.

Main study

The CMC was determined from the intersection of the two trend lines y₁and y₂. Trendline y₁ was obtained using the data of the test solutions with test item concentrations of 100, 200, 500 and 700 mg/L. Trendline y₂ was obtained from the mean surface tension of the test solutions with test item concentrations of 1000, 2000, 4000, 7000 and 10000 mg/L. The intersection was calculated to be at a log C value of 2.88. It corresponded with a CMC of 763 mg/L.

Conclusions:

The Critical Micelle Concentration (CMC) of the test item was determined by measuring the surface tension of test item solutions at different test item concentrations. The CMC of the test item was 763 mg/L.

Executive summary:

The Critical Micelle Concentration (CMC) of the test item was determined by measuring the surface tension of test item solutions at different test item concentrations, according to the OECD harmonized ring method. The CMC was 763 mg/L.

Description of key information

The water solubility of 2-Propenoic acid, methyl ester, reaction products with 2-ethyl-1-hexanamine and sodium hydroxide (methanol free) was determined in a GLP-compliant study performed in accordance with EU Method A.6 and OECD Guideline No. 105. The solubility in water of the test item was assessed to be ≥ 629 g/L at 20°C. Besides, as the test item was demonstrated to exhibit surface active properties, its Critical Micelle Concentration (CMC) was determined in a GLP-compliant study performed in accordance with the OECD harmonized ring method. The CMC was 763 mg/L.

Key value for chemical safety assessment

Water solubility:

629 g/L

at the temperature of:

20 °C

Additional information

The water solubility of 2-Propenoic acid, methyl ester, reaction products with 2-ethyl-1-hexanamine and sodium hydroxide (methanol free) was determined in a GLP-compliant study performed in accordance with standard methods, without deviations. The study is considered as reliable (Klimisch 1) and is selected as a key study for the endpoint.

The Critical Micelle Concentration (CMC) of the test item was determined in a GLP-compliant study performed in accordance with standard methods, without deviations. The study is considered as reliable (Klimisch 1) and is selected as a supporting study for the endpoint.