2-ethylhexyl 2-([1,1'-biphenyl]-4-ylcarbonyl)benzoate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 Mar 2020 - 25 June 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

March 04, 2016

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

27 July 1995

Deviations:

no

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

Column Elution Method; Shake Flask Method. March 1998.

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Other quality assurance:

ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)

Type of method:

flask method

Specific details on test material used for the study:

Physical Description: Colourless to pale yellow liquid (determined by Charles River Den Bosch)
Purity/Composition: 96.27%
Storage Conditions: At room temperature
Purity/Composition correction factor: No correction factor required
Test item handling: No specific handling conditions required
Chemical name: 2-Ethylhexyl 2-([1,1'-biphenyl]-4-ylcarbonyl)benzoate
CAS number: 75005-95-7
EC Number: 278-051-5
Molecular formula: C28H30O3
Molecular weight: 414.22

Water solubility:

0.048 mg/L

Conc. based on:

test mat.

Incubation duration:

72 h

Temp.:

20 °C

pH:

>= 6.2 - <= 7

Details on results:

Preliminary Test
The content of test item dissolved in the water sample was 0.0000209 g/L.

Main Study
The results for the samples taken at 24, 48 and 72 hours are given in Table 6.
The maximum difference of the concentrations determined in the 24, 48 and 72 hour test samples was ≥15% (i.e. 175%). Based on this, the stirring period was prolonged for at least 48, 72 and 96 hours and sampling in triplicate was performed.
The results for the samples taken at 48, 72 and 96 hours are given in Table 7.
The maximum difference of the concentrations determined in the 48, 72 and 96 hour test samples were > 15% (i.e. 17%). The maximum difference however of the concentrations determined in the 48, 72 (based on triplicates sampling) were ≤15% (i.e. 1%, data archived in the raw data). Based on this, it was concluded that maximum difference observed between concentrations determined in the 48, 72 and 96 hour were due the nature of the test item, and its heterogeneously distribution in the water phases and technically it is not possible to achieve better results. Therefore, the water solubility of the test item is given as the mean value of the analyzed concentrations from the 48-, 72- and 96-hour stirring periods and should be considered as an estimation.
No test item was detected in the pre-treated sample from the blank water mixture

Table 6       Main study - water solubility of the test item

Stirring time	Analyzed concentration	Mean	Maximum difference	pH
[hours]	[g/L]	[g/L]	[%]
24	0.000000459	0.000000322	175	6.4
48	0.00000676			6.4
72	0.00000246			6.4

Table 7       Main study - water solubility of the test item

Stirring time	Analyzed concentration	Mean	Mean	Maximum difference	pH
[hours]	[g/L]	[g/L]	[g/L]	[%]
48	0.0000531	0.0000498	0.000048	17	6.4
	0.0000506				6.4
	0.0000458				6.4
72	0.0000752	0.0000504			6.2
	0.0000504				6.3
	0.0000257				6.2
96	0.0000534	0.0000425			7
	0.0000409				6.9
	0.0000333				7

Conclusions:

The slow-stirring flask method was applied for the determination of the water solubility of the test item.
The water solubility of the test item at 20°C was estimated to be 0.000048 g/L.
The pH of the aqueous samples was 6.2 to 7.0.

Executive summary:

In this guideline (OECD 105) study, conducted with GLP certification, the water solubility of the test substance was found to be 0.048 mg/L at 20°C.

Description of key information

Study conducted to recognised testing guidelines with GLP certification.

Key value for chemical safety assessment

Water solubility:

0.048 mg/L

at the temperature of:

20 °C