Propanal, 3-(acetyloxy)-2,2-dimethyl-

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2016-04-01 to 2016-05-10

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

2014

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

59.2 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

100 g/L

Incubation duration:

>= 1 - <= 3 d

Temp.:

20 °C

pH:

3.2

Details on results:

The test item concentrations were calculated with the help of the calibration equations given in Table 3 (see Sect. "Remarks on results incl. tables and figures"). Measured concentrations of the test item are summarised in Table 4. The repeatability of the determination was <15% and thus within the range required by the guidelines.

In conclusion: the water solubility of SIKA Aldehyde A was determined to be 59.2 ± 1.49 g/L (95% confidence interval) at 20 °C ± 1°C using the shake-flask method for the performance of the main test.

Preliminary Test
The water solubility of the test item was estimated to be 20 g/L in a preliminary test and therefore the shake-flask method was used in the main test.

Calibration
The calibration solutions were prepared on each analytical occasion. The calibration samples were analysed by HPLC with three parallel injections from each.

Table 1 Data of the calibrations 24 h 

Concentration of the test item µg/mL	Calibration 24 h
	Mean of the Peak areas of the test item (n=3)
2.30	4678
5.75	21139
11.5	42540
23.0	86909
57.5	220907
115	461144
173	699824
230	930187 (n=2)

 

Table 2 Data of the calibrations 48 h and 72 h

Concentration of  the test item µg/mL	Calibration 48 h	Calibration 72 h
	Mean of the Peak Areas of the test item (n=3)
2.02	8689	7594
5.05	19867	19112
10.1	38641	37956
20.2	77823	76754
50.5	201252	194039
101	406124	390716
152	596639	588723
202	808356 (n=1)	787993

 

Table 3 Regression data

Analytical occasion	Constant	X Coefficient	R.Squared
Calibration_24h	-5814	4071	0.9999
Calibration_48h	-13	3964	0.9998
Calibration_72h	-1590	3901	1.0000

 

Table 4 Results of the determination of water solubility of the test item

Sampling time	Measured Concentration Test Item (g/L)
	Test vessel	Mean with the 95% confidence intervals	Measured pH
After 24h	57.2	56.6 ± 1.20	3.23
	56.4		3.19
	56.3		3.16
After 48h	60.5	60.2 ± 0.63	3.19
	60.3		3.19
	60.0		3.20
After 72h	60.2	60.6 ± 1.24	3.16
	61.2		3.18
	60.4		3.16

 

Conclusions:

In conclusion the water solubility of the test item was determined to be 59.2 ± 1.49 g/L (95% confidence interval) at 20 °C ± 1°C using the shake-flask method for the performance of the main test.

Executive summary:

The purpose of the study was to evaluate the solubility of the test item in water at 20 ± 1 °C. A preliminary test for solubility was carried out as a range finding test for the decision whether the column elution method or the flask method has to be used for the performance of the main test. The solubility of the test item was higher than 10 mg/L, therefore the shake-flask method was used for the main test. The water solubility of the test item was determined to be 59.2 ± 1.49 g/L (95% confidence interval) at 20 °C ±1 °C using the shake-flask method for the performance of the main test. The repeatability of the determination was < 15% and thus within the range required by the guidelines.

Description of key information

The water solubility of the test item was determined to be 59.2 ± 1.49 g/L (95% confidence interval) at 20 °C ± 1°C using the shake-flask method.

Key value for chemical safety assessment

Water solubility:

59.2 g/L

at the temperature of:

20 °C

Additional information

The solubility of the test item in water was determined according to EU Method A.6, OECD 105 and EPA OPPTS 830.7840. A preliminary test for solubility was carried out as a range finding test for the decision whether the column elution method or the flask method has to be used for the performance of the main test. The solubility of the test item was higher than 10 mg/L, therefore the shake-flask method was used for the main test. The water solubility of the test item was determined to be 59.2 ± 1.49 g/L (95% confidence interval) at 20 °C ±1 °C using the shake-flask method.