Phosphoric acid, C11-14 (C13-rich)-isoalkyl mono- and di-esters, partially salted with 1-Propanamine, 3-(tridecyloxy)-, branched

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

14 June 2016 to 04 October 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

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)

Type of method:

flask method

Water solubility:

< 0.001 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

0.1 g/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

3.9

Remarks on result:

other: positive mode

Water solubility:

< 0.057 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

0.1 g/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

3.9

Remarks on result:

other: negative mode

Key result

Water solubility:

0.016 g/L

Conc. based on:

other: Total Organic Carbon (TOC)

Loading of aqueous phase:

0.1 g/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

3.9

Details on results:

PRELIMINARY TEST
- The preliminary estimates of water solubility at 20.0 ± 0.5 °C are shown in Table 10 (below)

DEFINITIVE TEST
- Typical chromatograms are presented in Appendix 1 (attached).
- The mean total peak areas for the standard and sample solutions are shown in Table 11 (attached) for positive mode.
- The mean total peak areas for the standard and sample solutions are shown in Table 12 (attached) for negative mode.
- The calibration curves from which the sample concentrations were interpolated are presented in Figures 9 and 10 (attached).
- Results for total organic carbon analysis are shown in Table 13 (attached).
- Concentration (g/L) of test item in the sample solutions is shown in Table 14 (below).

TABLE 10 – PRELIMINARY ESTIMATES OF WATER SOLUBILITY

Loading rate (g/L)	Concentration (g/L) Positive mode	Concentration (g/L) Negative mode	Concentration (g/L) TOC
0.1	1.62 x 10^-3	6.27 x 10^-2	1.78 x 10^-2
1	1.77 x 10^-4	0.226	7.01 x 10^-2

TABLE 14 – CONCENTRATION OF TEST ITEM IN SAMPLE SOLUTIONS

Sample number	Concentration (g/L) Positive mode	Concentration (g/L) Negative mode	Concentration (g/L) TOC	Solution pH
1	1.36 x 10^-3	4.74 x 10^-2	1.62 x 10^-2	3.9
2	1.22 x 10^-3	5.70 x 10^-2	1.94 x 10^-2	3.9
3	2.98 x 10^-4	3.47 x 10^-2	1.27 x 10^-2	3.9

Overall concentration: < 1.36 x 10E-03 g/L at 20.0 ± 0.5°C (positive mode)

Overall concentration: < 5.70 x 10E-02 g/L at 20.0 ± 0.5°C (negative mode)

Overall concentration: 1.61 x 10E-02 g/L at 20.0 ± 0.5°C (TOC)

Conclusions:

With a nominal loading rate of 0.1 g/L, water solubility of the test item was determined by HPLC-MS to be < 1.36 x 10E-03 g/L (positive mode), < 5.7 x 10E-02 g/L (negative mode). The result was also expressed in terms of TOC as 1.61 x 10E-02 g/L at 20.0 ± 0.5 °C..

Executive summary:

GUIDELINE

The determination was carried by the flask method using a procedure 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.

 

RESULTS

With a nominal loading rate of 0.1 g/L, water solubility of the test item was determined by HPLC-MS to be < 1.36 x 10E-03 g/L (positive mode), < 5.7 x 10E-02 g/L (negative mode). The result was also expressed in terms of TOC as 1.61 x 10E-02 g/L at 20.0 ± 0.5 °C.

Description of key information

With a nominal loading rate of 0.1 g/L, water solubility of the test item was determined by the flask methd and HPLC-MS analysis to be < 1.36 x 10E-03 g/L (positive mode), < 5.7 x 10E-02 g/L (negative mode). The result was also expressed in terms of TOC as 1.61 x 10E-02 g/L at 20.0 ± 0.5 °C (OECD 105 and EU Method A.6).

Key value for chemical safety assessment

Water solubility:

0.016 g/L

at the temperature of:

20 °C

Additional information

GUIDELINE

The determination was carried by the flask method using a procedure 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.

 

RESULTS

With a nominal loading rate of 0.1 g/L, water solubility of the test item was determined by HPLC-MS to be < 1.36 x 10E-03 g/L (positive mode), < 5.7 x 10E-02 g/L (negative mode). The result was also expressed in terms of TOC as 1.61 x 10E-02 g/L at 20.0 ± 0.5 °C.