2-tetradecyloxirane, reaction products with boric acid

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2012-10-09 to 2013-01-28

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)

GLP compliance:

yes

Type of method:

flask method

Water solubility:

<= 0.17 mg/L

Temp.:

20 °C

pH:

4.4

Details on results:

See typical chromatography and calibration curve in attached document.

Validation
At a nominal concentration of 0.5 mg/L, a mean percentage recovery of 103% was obtained (range 95.5 - 115%). Concentrations were not corrected fpr recovery of analysis.

Discussion
The test was performed with reduced shaking and equilibration periods as it is known that functional groups within the test item structure are known to be hydrolytically unstable. Although the test item itself may not be prone to rapid hydrolysis it is highly hydrophobic, individual molecules of the test item that dissolve may be.
The small broad peak in the chromatography at approximately 2 minutes was not used in the calculations or considered on of the main components of the test item. The main components of the test item were as expected highly retained and required a gradient to 100 % tetrahydrofuran to elute them.
As can be seen in the chromatography of the sample matric blank, there is a peak at the same retention time as the test item which had a calculated concentration of 1.53E-04 mg/L and is comparable to the sample results. It was considered that the peak in the samples was probably due to system extracts taken up during the extraction procedure by either the dichloromethane or tetrahydrofuran. Therefore it was decided to take the overall result as a limit value based on the highest sample result. The final result was considered to be higher that the actual water solubility of the test item.
The standard matrix blank was subtracted from all chromatograms prior to integration to remove the gradient profile.

See typical chromatography and calibration curve in attached document

Table 1: Concentration of test item in samples.

Sample number	Time shaken at ca. 30°C (hours)	Time equilibrated at ca. 20°C (hours)	Concentration (g/L)	Solution pH
1	1	½	≤1.7E-04	4.4
2	2	½	≤1.63E-04	4.4
3	3	½	≤1.18E-04	4.5

Conclusions:

Interpretation of results (migrated information): insoluble (< 0.1 mg/L). The water solubility of the test substance is less than or equal to 0.17 mg/L at 20°C (pH 4.4).

Executive summary:

Test Guidance

OECD 105 and EC Method A6

Method and materials

The study was performed using the flask method with a preliminary and definitive test and HLPC analysis of samples.

Results

The water solubility of the test substance is less than or equal to 0.17 mg/L at 20°C (pH 4.4)

Description of key information

The water solubility of the test substance is less than or equal to 0.17 mg/L at 20°C (pH 4.4)

Key value for chemical safety assessment

Water solubility:

0.17 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of the test substance is less than or equal to 0.17 mg/L at 20°C (pH 4.4)