7-Isopropyl-2H,4H-1,5-benzodioxepin-3-one

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From December 1 to 12, 2008

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. No deviation affected the good quality of the study. The substance is considered to be adequately characterised with its purity. Therefore full validation applies.

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

27'" July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Regulation (EC) No 440/2008

Deviations:

no

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

Swiss GLP compliance programme (inspected on November 15 and 16, 2006 / signed on March 29, 2007)

Type of method:

flask method

Specific details on test material used for the study:

Storage condition of test material: Refrigerator (between 0 and 10 °C under nitrogen)

Key result

Water solubility:

2.56 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

5.4 g/L

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

5

Preliminary test: The preliminary test estimate of water solubility was >1 g/L at 35 °C.

Definitive test:

Table 4.8/1: Water solubility – results

Sample solutions	Time equilibrated at 20 °C (hours)	Concentration (g/L)	pH
A/B/C	24	2.45	5.0
A/B/C	48	2.54	5.0
A/B/C	72	2.68	5.0

Mean concentration: 2557 mg/L or 2.56 g/L at 20 ± 0.5 °C.

Conclusions:

Interpretation of results (migrated information): soluble (1000-10000 mg/L)

Executive summary:

The water solubility of the test substance was measured under GLP according to OECD 105/EU A6 guidelines, flask method with HPLC analysis. Three measurements were performed at 24, 48 and 72 h, with triplicate analysis. Equilibrium was considered achieved, and the mean result was retained.

The water solubility of the test substance is 2557 mg/L or 2.56 g/L at 20°C (pH 5).

Description of key information

Considered as soluble, with rapid dissolution (<=24h). pH of saturated solution: 5.

Key value for chemical safety assessment

Water solubility:

2.56 g/L

at the temperature of:

20 °C

Additional information

A fully reliable study, conducted according to a recognized OECD/EC method (flask) and under GLP, is available. Therefore it is considered as a key study. The result is retained as key data.