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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
The study was conducted between 27 April 2018 and 18 May 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guidelineopen allclose all
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)
Remarks:
Date of Inspection: 18/07/2017 - 20/07/2017 Date of Issue: 28/11/2017
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
trans-cinnamic acid
EC Number:
205-398-1
EC Name:
trans-cinnamic acid
Cas Number:
140-10-3
Molecular formula:
C9H8O2
IUPAC Name:
3-phenylacrylic acid
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material:
20171106
- Expiration date of the lot/batch:
10 April 2020

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:
Room temperature, in the dark, over silica gel

Results and discussion

Water solubility
Key result
Water solubility:
0.437 g/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
3.4
Details on results:
The preliminary estimate of the water solubility at 20.0 ± 0.5 °C was 0.466 g/L. The solution had a pH of 3.4.

Validation: The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 25 to 200 mg/L. The results were satisfactory with a
correlation coefficient (r) of 1.000 being obtained.

Any other information on results incl. tables

Definitive Test

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

Solution

Mean Peak Area

Standard 98.9 mg/L

1.1278 x 108

Standard 106 mg/L

1.2426 x 108

Matrix blank

None detected

Sample 2

1.0269 x 108

Sample 3

1.0048 x 108

Sample 4

1.0032 x 108

 

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Sample Number

Time Shaken at 30 ºC

(hours)

Concentration (g/L)

Solution pH

2

72

0.443

3.3

3

48

0.434

3.5

4

24

0.433

3.5

 

Mean concentration : 0.437 g/L at 20.0 ± 0.5 ºC

Range : 0.433 to 0.443 g/L

Standard Deviation : 5.73 x 10-3g/L

As the water solubility was determined during the preliminary test to be above 10-2 g/L, the flask shaking test was performed.

On completion of the equilibration period, the samples were clear and colorless with excess test item present throughout. The solutions were decanted, avoiding excess test item prior to centrifugation and filtration. After centrifugation and filtration, the supernatants were taken for analysis. The supernatants were observed to be clear, colorless and free from undissolved test item.

Applicant's summary and conclusion

Conclusions:
The water solubility of the test item has been determined to be 0.437 g/L of solution at 20.0 ± 0.5 °C.
Executive summary:

The water solubility of the test item has been determined to be 0.437 g/L of solution at 20.0 ± 0.5 °C, , using the flask method, designed 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.