1,3-Benzenedimethanamine, reaction products with glycidyl tolyl ether

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

This study was conducted between 01 June 2017 and 21 October 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 an adapted flask method and in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

27 July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

EC No. 440/2008 of 30 May 2008

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

Information as provided by the Sponsor.
Identification: 1,3-Benzenedimethanamine, reaction products with glycidyl tolyl ether
Appearance/Physical state: clear, colorless, viscous liquid
Batch: WA 1508
Purity: 100% UVCB
Expiry date: 01 January 2021
Storage conditions: room temperature, in the dark

Key result

Water solubility:

> 0.528 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

1 g/L

Temp.:

20 °C

pH:

10.3

 Evaluation of the Influence of Loading Rate

The meantotalpeak areas relating to the standard and sample solutions are shown in the following table:

 

Solution	Mean Total Peak Area
Standard solution, 54.1 mg/L	6.3469 x 10^6
Standard solution, 50.0 mg/L	5.7474 x 10^6
Sample solution 1, replicate dilution A	3.8597 x 10^6
Sample solution 1, replicate dilution B	4.1102 x 10^6
Standard solution, 541 mg/L	6.4518 x 10^7
Standard solution, 500 mg/L	5.9287 x 10^7
Sample solution 2, replicate dilution A	2.7152 x 10^7
Sample solution 2, replicate dilution B	2.7246 x 10^7
Standard solution, 5.41 x 10^3mg/L	2.5972 x 10^8
Standard solution, 5.00 x 10^3mg/L	2.4180 x 10^8
Sample solution 3, replicate dilution A	5.9455 x 10^7
Sample solution 3, replicate dilution B	5.7934 x 10^7
Standard solution matrix blank	no significant response

The equivalent test item concentration (g/L,based on total peak area response) for each sample solutionis shown in the following table:

Sample Number	Actual Loading Rate (g/L)	Analyzed Concentration (g/L)	Percentage Dissolution (%)	Solution pH
1	0.11	6.86 x 10^-2	62.4	9.5
2	1.03	0.457	44.3	10.3
3	10.1	2.44	24.2	10.9

 

Definitive Test at a Single Nominal Loading Concentration of 1.0 g/L

The meantotalpeak areas relating to the standard and sample solutions are shown in the following table:

Solution	Mean Total PeakArea
Standard solution, 510 mg/L	6.0121 x 10^7
Standard solution, 491 mg/L	5.8256 x 10^7
Solution matrix blank	no significant response
Sample solution 1, replicate dilution A	2.9924 x 10^7
Sample solution 1, replicate dilution B	3.0300 x 10^7
Sample solution 2, replicate dilution A	3.0334 x 10^7
Sample solution 2, replicate dilution B	3.0407 x 10^7
Sample solution 3, replicate dilution A	3.3070 x 10^7
Sample solution 3, replicate dilution B	3.3466 x 10^7

 

The equivalent test item concentration (g/L,based on total peak area response)of test item in the sample solutions is shown in the following table:

Sample number	Time Shaken at 30 ºC (hours)	Time Equilibrated at 20 ºC (hours)	Concentration (g/L)	Solution pH
1	24½	24	0.509	10.3
2	49	24	0.513	10.2
3	72¼	24	0.562	10.1

Mean concentration   :          0.528 g/L at 20.0 ± 0.5 ºC
Standarddeviation     :          3.0 x 10^-2g/L

 Validation

The linearity of the detector response with respect to concentration was assessed over nominal concentration range of 100 to1.00 x 10³mg/L. The results were satisfactory,with a first order correlation coefficient (r) of 0.9998 being obtained.

Conclusions:

The water solubility of the test item has been determined to be 0.528 g/L of solution at 20.0 ± 0.5 °C, calculated using the total peak area of all detected components within the test item and a standardized initial nominal saturation loading rate concentration of 1.00 g/L. As the test item was a complex mixture, the evaluation of water solubility also included an assessment of the influence of loading rate. Calculation of equivalent test item concentrations have been performed based on the total peak area of all components detected, although individual components demonstrated differing solubility characteristics; with later eluting, higher partition coefficient and therefore more hydrophobic species, showing reduced solubility at all loading rates. A summary of the resulting sample solution concentrations calculated using the total peak area of all detected components within the test item, and the initial sample solution saturation loading rates employed, is presented in the following table:

Sample Number Actual Loading Rate (g/L) Analyzed Concentration (g/L)
1 0.11 6.86 x 10-2
2 1.03 0.457
3 10.1 2.44

Executive summary:

The general physico-chemical properties of 1,3-Benzenedimethanamine, reaction products with glycidyl tolyl ether have been determined. 

Water Solubility. 0.528g/L of solution at 20.0 ± 0.5 °C, calculated using the total peak area of all detected components within the test item and a standardized initial nominal saturation loading rate concentration of 1.00 g/L. Testing used a flask methoddesigned to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995

Description of key information

Water Solubility. 0.528 g/L of solution at 20.0 ± 0.5 °C, calculated using the total peak area of all detected components within the test item and a standardized initial nominal saturation loading rate concentration of 1.00 g/L.

Key value for chemical safety assessment

Water solubility:

0.528 g/L

at the temperature of:

20 °C