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Physical & Chemical properties

Water solubility

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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:
OECD Guideline 105 (Water Solubility)
Version / remarks:
27 July 1995
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
EC No. 440/2008 of 30 May 2008
Deviations:
no
GLP compliance:
yes (incl. certificate)
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 106

Standard solution, 50.0 mg/L

5.7474 x 106

Sample solution 1, replicate dilution A

3.8597 x 106

Sample solution 1, replicate dilution B

4.1102 x 106

Standard solution, 541 mg/L

6.4518 x 107

Standard solution, 500 mg/L

5.9287 x 107

Sample solution 2, replicate dilution A

2.7152 x 107

Sample solution 2, replicate dilution B

2.7246 x 107

Standard solution, 5.41 x 103mg/L

2.5972 x 108

Standard solution, 5.00 x 103mg/L

2.4180 x 108

Sample solution 3, replicate dilution A

5.9455 x 107

Sample solution 3, replicate dilution B

5.7934 x 107

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 107

Standard solution, 491 mg/L

5.8256 x 107

Solution matrix blank

no significant response

Sample solution 1, replicate dilution A

2.9924 x 107

Sample solution 1, replicate dilution B

3.0300 x 107

Sample solution 2, replicate dilution A

3.0334 x 107

Sample solution 2, replicate dilution B

3.0407 x 107

Sample solution 3, replicate dilution A

3.3070 x 107

Sample solution 3, replicate dilution B

3.3466 x 107

 

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

Additional information