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Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

This study was conducted between 23 September 2016 and 22 December 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

27 July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

EC No. 440/2008 of 30 May 2008

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Specific details on test material used for the study:

Identification (Trade Name): FRET 13-0460
Chemical (IUPAC) Name: bis(cyclohexylmethyl) ether
Appearance/Physical state: Clear colorless liquid
Batch: RB390-61
IPC number N/A
Concentration of tested sample 99.4%
Concentration range >90%
Molecular formula C14H26O
Molecular weight 210
Expiry date: 01 June 2018
Storage conditions: Approximately 4 °C, in the dark

Key result

Water solubility:

> 0 - < 0 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

0.433 g/L

Incubation duration:

24 h

Temp.:

20 °C

pH:

> 6.6 - < 6.8

Details on results:

Preliminary Test
The preliminary estimate of water solubility was 1.9 x 10-4 g/L at 20.0 °C

Definitive test:

The mean peak areas relating to the standard and sample solutions are shown in the following table:

Table 1

Solution                            Mean peak area

Standard 5.08 mg/L              7.9455 x 10^5

Standard 5.07 mg/L              7.4927 x 10^5

Blank                                   None detected

Sample 1A                            6.6233 x 10^5

Sample 1B                            8.9858 x 10^5

Sample 2A                            9.3477 x 10^5

Sample 2B                            9.4179 x 10^5

Sample 3A                            9.6095 x 10^5

Sample 3B                            1.0153 x 10^6

The concentration (g/l) of test material in the sample solutions is shown in the table below.

Table 2

Sample number       Time shaken at ~ 30 ºC (hours)       Time equilibrated at 20 ºC (hours)       Concentration (g/L)       Average Concentration (g/L)       Solution pH

1A                                   24                                                               24                                          2.18 x 10-4                            2.95 x 10-4                     6.8

1B                                   24                                                               24                                          2.95 x 10-4              

2A                                   48                                                               24                                          3.07 x 10-4                            3.08 x 10-4                     6.6

2B                                   48                                                               24                                          3.09 x 10-4              

3A                                   72                                                               24                                          3.16 x 10-4                            3.25 x 10-4                     6.7

3B                                   72                                                               24                                          3.34 x 10-4     

 

Mean concentration        :       3.12 x 10-4 g/L at 20.0 ± 0.5 ºC

Range                            :       2.95 x 10-4 to 3.34 x 10-4 g/L

Standard Deviation       :       1.406 x 10-5

Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0.5 to 10 mg/L.  The results were satisfactory with a correlation coefficient (r) of 0.998 being obtained.

Recovery of analysis of the sample procedure was assessed and proved adequate for the test.

At a nominal concentration of 0.05 mg/L, a mean percentage recovery of 84.3 % was obtained (range 81.1 to 86.7%).

Concentrations have not been corrected for recovery of analysis.

        

Conclusions:

The water solubility of FRET 13-0460 was determined to be 0.312 mg/L @ 20 ± 0.5 °C using OECD TG 105 (Water solubility) using the flask method in compliance with GLP.

Executive summary:

The water solubility of FRET 13 -0460 was determined to be 0.312 mg/L @ 20 °C using OECD TG 105 and according to GLP, using the flask method.

Description of key information

The water solubility of FRET 13-0460 was determined to be 0.312 mg/L @ 20°C using OECD TG 105 using the flask method.

Key value for chemical safety assessment

Water solubility:

0.312 mg/L

at the temperature of:

20 °C