Phosphoric acid, mixed decyl and octyl esters, compds. with diethanolamine

Solubility in organic solvents / fat solubility

Link to relevant study record(s)

Reference

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: OECD Guideline 107

Deviations:

no

Principles of method if other than guideline:

The partition coefficient is estimated from the ratio of the solubilities of a defined amount of the test item in the pure solvents:

Phosphoric acid, mixed decyl and octyl esters, compds. with diethanolamine

P estimate = c n-octanol / c water
Definiton and units: The partition coefficient (P) is defined as the ratio of the equilibrium concentrations (ci) of a dissolved substance in a two-phase system consisting of two largely inmicible solvents.
In the case of n-octanol and water: P ow = c n-octanol / c water

The partition coefficient (POW) therefore is the quotient of two concentrations and is usually given in the form of its logarithm to base 10 (log P ow).

Performance of the Test
To approximately 100 mg of Katax PE 146 N in a 100 mL duran glass bottle, 100 mL of n-octanol was added in several steps. The test was stopped as the complete test item was dissolved.

GLP compliance:

yes (incl. QA statement)

Specific details on test material used for the study:

Name: Phosphoric acid, mixed decyl and octyl esters, compds. with diethanolamine
CAS No.: 68425-57-0
Physical state: white solid at 20 °C (turbid, non-pourable paste)
Batch No.: PU61810016
Re-certification date of batch: 16 June 2018
Purity: 100 % (UVCB)
Moisture, % (KF) 1,2
pH, 10% in dW 7,2
Stability: stable under test conditions
Storage condition of test material: Room temperature, protected from light

Results

The aim of this study was the determination of the partition coefficient n-octanol/water of the test item. The solubility of the test item n-octanol was determined by visual inspection. Water solubility of the test item was determined in study also by visual inspection. The partition coefficient was calculated as ratio between the solubility in n-octanol and the water solubility. The estimation of the partition coefficient by using the solubilities of the substance in the pure solvents is described in Appendix of EC method A.8 and OECD guideline 107. The water solubility was determined to be much lower than the n-octanol solubility of the test item.

The solubility in n-octanol of the test item was determined at ambient temperature under atmospheric pressure.

Temperature [°C]: 20.3 °C

Solubility range [g/L]: 1-10

Solubility of the test item in ultra-pure water at ambient temperature

Temperature [°C]: ambient

Solubility [mg/L]: 234-293

The concentration of the test item in the water phase and in the n octanol phase was taken for the calculation of n octanol/water partition coefficient (POW) and its decimal logarithm (log POW). The calculated log POW was between 0.5 and 1.6.

Table: Determined solubility of the test item in n-octanol

Test Item [mg]	Total volume solvent [mL]	Shaking time [min]	Observation	Approximate solubility [g/L]
99.1	0.1	10	Not dissolved	-
99.1	0.5	10	Not dissolved	-
99.1	1	10	Not dissolved	-
99.1	2	10	Not dissolved	-
99.1	10	10	Not dissolved	-
99.1	100	10	Not dissolved	10
108	100	10	Not dissolved	1 - 10
108	100	1440	dissolved	1 - 10

Conclusions:

The solubility in n-octanol of the test item was determined at ambient temperature under atmospheric pressure. The solubility range is 1-10 g/L at 20.3 °C.

Executive summary:

The aim of this study was the determination of the partition coefficient n-octanol/water of the test item. The solubility of the test item n-octanol was determined by visual inspection.

The solubility in n-octanol of the test item was determined at ambient temperature under atmospheric pressure. The solubility range is 1-10 g/L at 20.3 °C.

Description of key information

The solubility in n-octanol of the test item was determined at ambient temperature under atmospheric pressure. The solubility range is 1-10 g/L at 20.3 °C.