phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-, monosodium salt

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

The study was conducted between 12 September 2018 and 17 November 2018.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2019

Report date:

2019

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)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-, monosodium salt

EC Number:

828-215-2

Cas Number:

172796-84-8

Molecular formula:

C8H12NO7P2Na

IUPAC Name:

phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-, monosodium salt

impurity 1

Reference substance name:

4-aminophenylacetic acid

EC Number:

214-828-7

EC Name:

4-aminophenylacetic acid

Cas Number:

1197-55-3

Molecular formula:

C8H9NO2

IUPAC Name:

4-aminophenylacetic acid

impurity 2

Reference substance name:

EBP dimer

Molecular formula:

C16H22N2O12P4

IUPAC Name:

EBP dimer

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

Identification: Phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-, monosodium salt (“EBP”)
Appearance/Physical state: Beige colored powder
Batch: CHPC071917EBP
Purity: >90%
Expiry date: 01 July 2019
Storage conditions: Room temperature in the dark

Results and discussion

Water solubility

Key result

Water solubility:

12.5 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

7.1

Details on results:

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 50 to 1000 mg/L. The results were satisfactory with a correlation coefficient (r) of 1.000 being obtained.

Any other information on results incl. tables

Preliminary Test

The preliminary estimate of the water solubility at 20.0 ± 0.5 °C was 12.5 g/L. The solution had a pH of 5.2.

Definitive Test

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

Solution	Mean Peak Area
Standard 125 mg/L	9.166 x 10^6
Standard 133 mg/L[1]	-
Matrix blank	None detected
Sample 1A	8.919 x 10^6
Sample 1B	9.144 x 10^6
Sample 2A	9.105 x 10^6
Sample 2B	9.116 x 10^6
Sample 3A	9.384 x 10^6
Sample 3B	9.435 x 10^6

[1] The 125 and 133 mg/L standard solutions were noted to be out of agreement, and therefore, one was proposed to be erroneous. Subsequent analysis of the 125 and 133 mg/L standard solutions against duplicate, additional 128 mg/L standard solutions confirmed that the 133 mg/L standard solution was erroneous. Therefore, the 133 mg/L standard solution was not used in any subsequent calculations.

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
1	24	12.3	7.2
2	48	12.4	7.2
3	72	12.8	6.8

Mean concentration   :          12.5 g/L at 20.0 ± 0.5 ºC
Range                       :          12.3 to 12.8 g/L
Standard Deviation    :          0.27 g/L

Applicant's summary and conclusion

Conclusions:

The water solubility of the test item has been determined to be 12.5 g/L of solution at 20.0 ± 0.5 °C.

Executive summary:

Water Solubility. 12.5g/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.