2,4-dimethyl-4-phenyltetrahydrofuran

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

08 to 24 July 2013

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

650 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

2.5 g/L

Incubation duration:

>= 72 - <= 96 h

Temp.:

20 °C

pH:

9.1 - 9.2

Table 4.8/1: Analytical concentration of test substance

 

Contact time (h)	24	48	72	96	Average (72 h and 96 h)
Concentration (mg/l)	376.0	603.0	646.9	654.0	650

 

The solubility in ultrapure water was calculated from the analytical concentrations obtained in the analyses. The individual results obtained on hours 72 and 96 do not differ by more than 15 %, as required for this method by the OECD 105 guideline.

The results obtained after 24 h and 48 h were not used for the calculation of the water solubility, as it can be concluded that saturation of the aqueous phase was not yet attained.

At test end the pH values of the solutions in ultrapure water was pH 9.1 and pH 9.2 on two independent flasks.

Executive summary:

The solubility of the test item in pure water was determined according to the OECD Guideline No. 105 (flask method), and under GLP.

An alternative method to the standard test procedure (saturation equilibrium method) was preferred, with sampling from the bottom, to facilitate the separation of the saturated aqueous phase from any undissolved substance which can be present as very small droplets in suspension. The test was conducted in duplicate, and samples were centrifuged before analysis with a validated HPLC method after 24, 48, 72 and 96 hours of contact time.
Equilibrium was considered achieved from 72 h (< 15% deviation), so the water solubility was calculated as the average of the concentrations measured on 72 and 96h.

The solubility of the test item in water is 650 mg/L (20 °C, pH 9.1-9.2).

Description of key information

Experimental solubility in water = 650 mg/L at 20°C. (OECD 105, GLP)

Considered as moderately soluble.

Key value for chemical safety assessment

Water solubility:

650 mg/L

at the temperature of:

20 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD method and under GLP, is available.
It is considered as a key study; the result is retained as key data for CSA.