3-methyl-5-phenylpent-2-enenitrile

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2015-08-14

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

119 mg/L

Conc. based on:

test mat.

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

6.7

Details on results:

The concentration measured did not differ for more than 15 % and Temperatures were kept constant within ± 0.5 °C. Thus, all validity criteria were fulfilled. No Tyndall-effect was observed in all replicates at all time points (24h, 48h, 72h).

pH-value of the Test Mixture

Test temperature [°C]	Preincubation time [h]	Replicate	Measured pH	Mean value
20	24	1	6.351	7.3
		2	6.479
	48	1	6.545
		2	6.733
	72	1	6.989
		2	7.142
		Control	6.402	-

 

Check of the Tyndall-Effect

Preincubation time	Replicate	Tyndall-Effect
24 h	1	negative
	2	negative
48 h	1	negative
	2	negative
72 h	1	negative
	2	negative
	Control	negative

 

 Water Solubility Results at 20 °C

Preincubation time	Replicate No.	Concentration [mg/L]	Mean
24 h	1	120	120
	2	120
48 h	1	119	119
	2	118
72 h	1	120	117
	2	115
Mean (24-72 h)			119
Deviation[%] (24-72 h)			2

 

 

Conclusions:

The solubility of the test item was determined to be 119 mg/L (pH 6.7) at 20 °C ± 0.5 °C.

Executive summary:

A study was conducted according to OECD Guideline 105 for Testing of Chemicals (1995) and Council Regulation (EC) No. 440/2008, Method A.6 to determine the water solubility of the test item. In a non-GLP preliminary test the application dose for the main test was determined. As preliminary result a solubility range of 24.4 - 122 mg/L was determined. The analytical quantification of the test item was carried out via HPLC with DAD on a reversed phase analytical column. Method validation was performed according to SANCO 3029/99 rev.4 (2000) Repeatability and temperature as validity criteria. All validation criteria were fulfilled. The main test was conducted at 20 °C ± 0.5 °C. The test mixture replicates were preincubated at 30 ± 0.5 °C with constant stirring at 300 rpm for 72, 48 and 24 h, respectively. After preincubation, the temperature was reduced to the test temperature of 20 ± 0.5 °C for 24 h with stirring at 100 rpm. The samples were taken 24 h after reduction to the test temperature and the test item concentration was determined. The solubility of the test item was determined as mean of the 24-72 h time points to be 119 mg/L (pH 6.7) at 20 + 0.5 °C.

Description of key information

The water solubility of the test item was determined to be 119 mg/L (pH 6.7) at 20 °C ± 0.5 °C.

Key value for chemical safety assessment

Water solubility:

119 mg/L

at the temperature of:

20 °C

Additional information

A study was conducted in accordance with OECD Guideline 105 and Council Regulation (EC) No. 440/2008, Method A.6 to determine the water solubility of the test item. The test was conducted at 20 °C ± 0.5 °C with preincubation at 30 °C ± 0.5 °C with constant stirring at 300 rpm for 72, 48 and 24 h. After preincubation, the temperature was reduced to the test temperature of 20 ± 0.5 °C for 24 h with stirring at 100 rpm. The samples were taken 24 h after reduction to the test temperature and the test item concentration was determined. The solubility of the test item was determined as mean of the 24 -72 h time points to be 119 mg/L at 20 ± 0.5 °C.