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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
03/AUG/04 - 05/NOV/04
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
Type of method:
flask method
Specific details on test material used for the study:
Asahiklin AE-3000, molecular weight 200.07
CAS 406-78-0
Clear colourless liquid
Batch 50407070
Purity: 99.985%
The test substance was stored in a refrigerator in the dark under stable conditions
The test substance expiry date was the 07 July 2005
Key result
Water solubility:
837 mg/L
Incubation duration:
24 h
Temp.:
20.1 °C
pH:
9.1
Key result
Water solubility:
783 mg/L
Incubation duration:
48 h
Temp.:
20.1 °C
pH:
8.5
Key result
Water solubility:
794 mg/L
Incubation duration:
72 h
Temp.:
20.1 °C
pH:
8.5

The water solubility of a test substance is specified by the saturation mass concentration of the test substance in water at a given temperature. To determine the concentration of 1,1,2,2-tetrafluoroethyl-2,2,2-trifluoroethyl ether in the water samples, the following formula was used:

 

C (g/l) = ((R – b) * d * 10-3) / a

 

Where:

R = response sample (units)

d = dilution factor

a = slope (units*l/mg)

b= intercept (units) The above values were taken from a calibration curve, which was constructed on each day of analysis using at least 4 concentrations. The response was correlated with the concentration test substance, using linear regression analysis. The coefficient of correlation was always >0.99. Because the water solubility of 1,1,2,2-tetrafluoroethyl-2,2,2-trifluoroethyl ether was <100g/l, no correction for the mass fraction of the test substance in the water mixture needed to be made.

Preliminary test: The concentration of 1,1,2,2-tetrafluoroethyl-2,2,2-trifluoroethyl ether in the aqueous phase prior to/ after the first and second centrifugation steps was 816mg/l, 827mg/l and 819mg/l respectively. From this, it could be safely concluded that the water solubility of

1,1,2,2-tetrafluoroethyl-2,2,2-trifluoroethyl ether is >10mg/l. Thus, the flask method was chosen for water solubility determination in the main study. The pH of the aqueous phase after the three centrifugation steps was 7.2 Since no significant difference was observed between the concentration analysed before and after centrifugation, it was concluded that no undissolved test substance was present in the aqueous phase. Therefore, it was decided to analyse the aqueous phase without centrifugation in the main study.

Main study: The results for the samples have been summarised in the table below:

Stirring time (hours)

Concentrations analysed (mg/l)

Mean concentration (mg/l)

pH

24

 

829

837

9.1

845

48

804

783

8.5

763

72

794

794

8.5

795

 

 

Mean: 805 mg/l

 

Since the 24-, 48-, and 72 hour measurements are in agreement (max deviation <15%), the water solubility of 1,1,2,2-tetrafluoroethyl-2,2,2-trifluoroethyl ether was calculated as a mean value of all of the measurements (805mg/l at 20.1 ±0.5 °C).

Conclusions:
The water solubility of 1,1,2,2-tetrafluoroethyl-2,2,2-trifluoroethyl ether at 20.1 ± 0.5 °C was determined to be 0.805g/l using the flask method.
Executive summary:

An experiment was carried out to determine the water solubility of 1,1,2,2-tetrafluoroethyl-2,2,2-trifluoroethyl ether

. Between 136 and 138 of the test substance was added to 22.5ml of double distilled water in a securely closed GC vial and stirred for either 24, 48 or 72 hours in a climate room. The concentration of

1,1,2,2-tetrafluoroethyl-2,2,2-trifluoroethyl ether i

n the water samples was then determined. From this, the water solubility (the saturation mass concentration of the test substance in water at a given temperature) of ASAHIKLIN AE-3000 was determined to be 0.805g/l at 20.1 ±0.5°C.

Description of key information

Key value for chemical safety assessment

Water solubility:
0.805 g/L
at the temperature of:
20.1 °C

Additional information