3-methyl-1-isobutylbutyl acetate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

20 September 2018 to 22 May 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

GLP compliance:

yes

Type of method:

other: at 20°C by the slowstirring flask method

Key result

Water solubility:

0.032 g/L

Conc. based on:

test mat.

Incubation duration:

>= 48 - <= 96 h

Temp.:

20 °C

pH:

>= 8.7 - <= 8.9

Details on results:

Preliminary Test
After one centrifugation step the content of test item dissolved in the water sample was 0.00891 g/L. After two centrifugation steps no test item was detected due to the volatility of the test item. Therefore, the main study was based on the calculated water solubility of 17 mg/L.

Main Study
The analysed test item concentrations during the first main study were 0.0105, 0.00800 and 0.0194 g/L after 24, 48 and 72 hours respectively. The high maximum difference of 83% was possibly caused by loss of test item due to its volatility during the sample dilution step. The main study was repeated eliminating the dilution step by extending the calibration curve to a higher concentration level of 30 mg/L. Also a 96-hour sample was included during the second main study to obtain more information about a possible trend.

The 24-hour measurement was significantly higher than the 48-, 72- and 96- hour measurements (maximum difference > 15%). Based on this, the water solubility of the test item was given as the mean value of the 48-, 72- and 96-hour measurements.

No test item was detected in the pretreated sample from the blank water mixture.

Water Solubility of the Test Material

Stirring Time (hours)	Analysed Concentration (g/L)	Mean (g/L)	Maximum Difference (%)	pH
48	0.034	0.032	12	8.9
72	0.031			8.7
96	0.032			8.7

An additional data point of 24 hours was initially recorded but was significantly higher (analysed concentration = 0.063 g/L) than the 48-, 72- and 96- hour measurements (maximum difference > 15%). Based on this, the water solubility of the test item was given as the mean value of the 48-, 72- and 96-hour measurements.

Conclusions:

Under the conditions of this study, the water solubility of the test material at 20 °C was 0.032 g/L.

Executive summary:

The water solubility of the test material was investigated in accordance with the standardised guidelines OECD 105, EU Method A.6 and OPPTS 830.7840, under GLP conditions.

The slow stirring flask method was applied for the determination of the water solubility of the test material. The pH of the aqueous samples was between 8.7 and 8.9.

Under the conditions of this study, the water solubility of the test material at 20 °C was 0.032 g/L.

Description of key information

The water solubility of the test material was investigated in accordance with the standardised guidelines OECD 105, EU Method A.6 and OPPTS 830.7840, under GLP conditions.

The slow stirring flask method was applied for the determination of the water solubility of the test material. The pH of the aqueous samples was between 8.7 and 8.9.

Under the conditions of this study, the water solubility of the test material at 20 °C was 0.032 g/L.

Key value for chemical safety assessment

Water solubility:

0.032 g/L