Reaction mass of [2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzoate and [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate and (3-benzoyloxy-2,2,4-trimethylpentyl) 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:

13 July 2012 - 03 October 2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: V046212201
- Expiration date of the lot/batch: 30 April 2014
- Storage condition of test material: room temperature, in the dark

Key result

Water solubility:

0.89 mg/L

Conc. based on:

test mat. (total fraction)

Incubation duration:

24 h

Temp.:

30 °C

pH:

3.28

Key result

Water solubility:

1.08 mg/L

Conc. based on:

test mat. (total fraction)

Incubation duration:

48 h

Temp.:

30 °C

pH:

4.9

Key result

Water solubility:

1.06 mg/L

Conc. based on:

test mat. (total fraction)

Incubation duration:

72 h

Temp.:

30 °C

pH:

5.67

Conclusions:

The water solubility of the test item was determined to be 1.01 x 10-3 g/L of solution at 20 deg C.

Executive summary:

The objective of this study was to determine water solubility for the test substance following EC Guideline A.6, OECD Guideline105, EPA OPPTS 830.7840 and GLP principles. The preliminary water solubility test indicated that the column elution method should have been performed as the solubility was less than 1 x 10 -2 g/L. However, due to the physical nature of the test item, it was not possible to use this method as experience has shown that liquid test items coated onto glass beads cause the beads to adhere together forming a plug within the column and thus preventing water circulation. It is stated in ECHA Guidance R.7a that the column elution is not suitable for mobile oils and liquids.

On completion of the equilibration period, the samples were cloudy with excess of test item forming globules. The solutions were decanted, avoiding excess test item prior centrifugation. After centrifugation, the supernatant was taken for analysis. The supernatant was visually observed to be clear /colourless and free from undissolved test item.

The percentage purity of four components observed in the chromatography was calculated using peak area normalization. The standard solution concentrations were corrected for purity to calculate the concentration of each component individually. The water solubility of test item has been calculated as the total item concentration of the four component peaks.

 

 

Description of key information

Water solubility (EC A6; flask method) of Reaction Mass of 1-isopropyl-2,2 dimethyltrimethylene diisobutyrate and 3-benzoyloxy-2,2,4-trimethyl pentyl isobutyrate and 2,2,4-trimethylpentane-1,3-diyl dibenzoate

was 1,01 x 10 -3 g/L.

Key value for chemical safety assessment

Water solubility:

1.01 mg/L

at the temperature of:

20 °C

Additional information

The objective of this study was to determine water solubility for the test substance following EC Guideline A.6, OECD Guideline105, EPA OPPTS 830.7840 and GLP principles. The preliminary water solubility test indicated that the column elution method should have been performed as the solubility was less than 1 x 10 -2 g/L. However, due to the physical nature of the test item, it was not possible to use this method as experience has shown that liquid test items coated onto glass beads cause the beads to adhere together forming a plug within the column and thus preventing water circulation. It is stated in ECHA Guidance R.7a that the column elution is not suitable for mobile oils and liquids.

On completion of the equilibration period, the samples were cloudy with excess of test item forming globules. The solutions were decanted, avoiding excess test item prior centrifugation. After centrifugation, the supernatant was taken for analysis. The supernatant was visually observed to be clear /colourless and free from undissolved test item.

The percentage purity of four components observed in the chromatography was calculated using peak area normalization. The standard solution concentrations were corrected for purity to calculate the concentration of each component individually. The water solubility of test item has been calculated as the total item concentration of the four component peaks.