4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2015-08-12 till 2015-08-24

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Remarks:

Chilworth Technology Limited, Phi House Southampton Science Park, Southampton SO16 7NS, United Kingdom

Type of method:

flask method

Key result

Water solubility:

18 mg/L

Temp.:

20 °C

pH:

>= 4.88 - <= 6.22

Remarks on result:

other: Mean water solubility from 3 flasks

Details on results:

Preliminary results: 10 mg/L
Estimated Water Solubility: Software preliminary estimation calculated using EPI suite (v4.11). Log Kow (WSKOW v1.42), Water Solubility at 25°C = 3.347 mg/L

Formal analysis:
Due to the low solubility of the test substance, slow stirring (<100 rpm) was used for solution preparation, in accordance with ECHA guidelines. Test guidelines specify that 'if the concentration results of at least the last two vessels agree with the required reproducibility, the test is satisfactory'and that 'the whole test should be repeated, using longer equilibration times, if the results from vessels 1, 2 and 3 show a tendency to increase values'. Repeatability is specified as 15%. However, given the low solubility of the test item, the limitations of the detection method, the fact that there is not an increasing trend between vessels and the magnitude of the results a difference of 15% is virtually negligible. Therefore the mean of the three vessels has been reported despite the fact that vessel 3 does not meet the required repeatability specified in the test guidelines.

Analytical Determinations

Flask No.	pH	Absorbance 1	Absorbance 2	Mean concentration (g/L)
1	6.22	507600	508145	0.017
2	4.88	483133	482961	0.016
3	6.2	604512	604911	0.020

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Under the test conditions the water solubility is 18 mg/L at 20 °C.

Executive summary:

The water solubility was determined according to EU Method A6 and in compliance with GLP using the shake flask method. The test was performed in triplicate. Under the test conditions the water solubility is 18 mg/L at 20 °C.

Description of key information

The water solubility of the substance was determined to be 18 mg/L at 20°C using EU Method A6 using the shake flask method.

Key value for chemical safety assessment

Water solubility:

18 mg/L

at the temperature of:

20 °C

Additional information

The water solubility was determined according to EU Method A6 and in compliance with GLP using the shake flask method. The test was performed in triplicate. Under the test conditions the water solubility is 18 mg/L at 20 °C.