trans-cinnamic acid

Water solubility

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 guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 2

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

Test material information

Constituent 1

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 10^8
Standard 106 mg/L	1.2426 x 10^8
Matrix blank	None detected
Sample 2	1.0269 x 10^8
Sample 3	1.0048 x 10^8
Sample 4	1.0032 x 10^8

 

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.