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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:
From 03 October 2012 to 30 January 2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study performed according to the OECD Testing Guideline and GLP compliant.
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
This deviation does not affect the outcome of the study
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
1.61 mg/L
Temp.:
20 °C
pH:
5.5

Validity criteria:

The quality criteria of the A.6 method were verified (RSD% over three values is <15%)

Table 1 : Linear calibration curve:

WSS1: 50.65 ng/mL {Peak area) WSS2: 101.30 ng/mL (Peak area) WSS3: 253.25 ng/mL (Peak area)
1st  injection 4776520 8127456  14888200
2nd  injection 4563240 7933376

 14360560

Mean 4669880 8030416 14624380
Delta 213280 194080 527640
Delta % 4.57% 2.42% 3.61%
y=mx+ q Parameter m (slope) Parameter q (intercept) Parameter R2(correlation)
  47810  2650746  0.99088

Table 2 : water solubility results

Flask As(*) Cs(1) (ng/mL) Ds Water Solubility (ng/mL) Mean (µg/mL)
A1 - 24h  6475500 80.00 20.0 1599.97 1.60
A2 - 24h  6462304 79.72 20.0 1594.45
B1 - 48h  6535588 81.26 20.0 1625.11 1.63
B2 - 48h 6551440 81.59 20.0 1631,74
C1 - 72h 6483630 80.17 20.0 1603.37 1.61
C2 - 72h 6503528 80.58 20.0 1611.70
Mean value: : 1.61
Standard deviation (S.D.): 0.02
Relative Standard Deviation (RSD%): 0.99%

(*)  Mean of two injections

(1) Quantification with the linear calibration curve

Conclusions:
The water solubility of 1,6-Divinylperfluorohexane is 1.61 mg/L at 20°C and at pH 5.5.
Executive summary:

The determination of the water solubility of 1,6-Divinylperfluorohexane was performed according to Method A.6 "Water solubility"of Commission Regulation (EC) No 440/2008 of 30 May 2008 and the Method 105 "Water Solubility" of OECD Guideline and GLP.

 

The solubility in water of a test item is specified by the saturation mass concentration of the test item in water at a given temperature.

 

Preliminary non GLP test was performed to determine the amount of the sample and the necessary time to achieve the saturation of the test item in the solution. According to these preliminary tests, the water solubility of the test item resulted to be lower than 0.01 g/L.

 The flask method was preferred at the column elution method (normally recommended for the substance with a water solubility lower than 0.01 g/L) for the following reasons:

-       The test item is a liquid, so not easily distributed on the quartz sand used as inert support;

-       The mechanical action through the coloumn could allow to a run off of test item from the quartz sand with formation of fine dispersion of undissolved test item drops in the aqueous fraction collected.

In order to avoid an overestimation of the water solubility value the flask method was preferred.

 

The test item was dissolved in water at a temperature somewhat above the test temperature (30°C) and stirred 24hours, 48 hours or 72 hours. The test solutions were then cooled and kept at the test temperature during 24 hours.

 

Subsequently, the mass concentration of the test item in the aqueous solution, which must not contain any undissolved particles, is determined by a suitable analytical method.

 

The analytical method used for the test was the GC coupled with an ECD detector.

 

From the obtained experimental value, using starting solutions obtained with about 1 g of test item and 100 mL of water, it can be concluded the the water solubility of 1,6-Divinylperfluorohexane sample is 1.61 µg/mL at 20°C.

Description of key information

 The water solubility of the test substance was determined in a study performed with the Shake flask method according to recognized guidelines (OECD 105, EU Method A.6) and under GLP. The water solubility is determined to be 1,61 mg/L at 20°C and at pH 5.5.

Key value for chemical safety assessment

Water solubility:
1.61 mg/L
at the temperature of:
20 °C

Additional information

The water solubilty of the test item was investigated in one GLP-compliant study performed in accordance with standard methods, without deviations. The study is considered as reliable (Klimisch 1) and is selected as a key study for the endpoint.