Undecan-4-olide

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2008-01-25 to 2008-02-08

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. Purity of the test substance is known. Therefore validation applies, with the restrictions that impurities are not specified, concentrations were determined versus a single calibration point, and pH decreased significantly at 72h.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

(1995)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

The test material was used under non-actinic light sources only, and was not exposed to natural or artificial daylight during this study.

Water solubility:

0.158 g/L

Temp.:

20 °C

pH:

5.8 - 7.2

Preliminary test

The preliminary estimate of water solubility was 0.160 g/L.

Definitive test

The concentration (g/L) of test material in the sample solutions is shown in the table below:

Sample number	Time shaken at ca 30°C(hours)	Time equilibrated at 20°C(hours)	Concentration(g/L)	Solution pH
1	24	24	0.152	7.2
2	48	24	0.158	7.0
3	72	24	0.163	5.8

Mean concentration: 0.158 g/L at 20.0 +/-0.5°C

Discussion

The water solubility has been calculated using the three main isomers of the test material (information provided by the sponsor). Recoveries of analysis (in triplicate) were undertaken at a nominal concentration of 1 mg/L and produced a mean recovery of 98.4%.

The preliminary water solubility test indicated that the column elution method should have been performed as the solubility was less than 1x10^-2 g/L. However, due to the physical nature of the test material, it was not possible to use this method; experience has shown that liquid test materials coated onto glass beads cause these beads to adhere together forming a plug within the column and thus preventing water circulation.

Conclusions:

Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)

Executive summary:

According to OECD flask method, water solubility of the substance was measured at 20°C, with GC-FID analysis. Results at 24, 48 and 72h were considered to be constant, so the mean value of 158 mg/L was retained.

Reference 2

Endpoint:

water solubility

Type of information:

not specified

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Remarks:

Data comes from a recognised authority review. Therefore it will be considered as reliable, with the restriction that no purity is stated.

Reason / purpose for cross-reference:

reference to other study

Principles of method if other than guideline:

No data.

Remarks on result:

other: Insoluble in water.

Remarks:

(temperature and pH not specified)

Executive summary:

The US EPA RED on the pesticide Furanone provides, as secondary source, some physico-chemical properties on the two compounds of Furanone. A qualitative assessment that the substance is insoluble in water is cited.

Description of key information

The substance is considered as moderately soluble.

The fresh saturated solution has neutral pH (ca 7).

Key value for chemical safety assessment

Water solubility:

0.158 g/L

at the temperature of:

20 °C

Additional information

An experimental study, conducted according to the OECD guideline and under GLP, is available and considered as reliable, with restrictions mainly on pH variation at day 3. Therefore, it is considered as a key study, and the result is retained for purpose of CSA.

Literature data was not taken into account in the present dossier, as providing only a qualitative assessment.