1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From August 2017 to May 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

- Appearance: Pink liquid
- Test item storage: At room temperature protected from light
- Purity/Composition correction factor: No correction factor required

Key result

Water solubility:

0.009 g/L

Conc. based on:

test mat.

Temp.:

19.8 °C

pH:

6.4

Preliminary Test

The content of test item dissolved in the water sample was 0.0072 g/L.

Main Study

The results for the samples taken at 24, 48 and 72 hours are given in the table below. The 48-hour measurement was significantly lower than the 24- and 72- hour measurements

(maximum difference > 15%). Based on this, the water solubility of the test item was given as the mean value of the 24- and 72-hour measurements.

No test item was detected in the pretreated sample from the blank water mixture.

Stirring time  [hours]	Analyzed concentration [g/L]	Mean [g/L]	Maximum difference [%]	pH
24	0.0095*	0.0093	3.8	6.4
48	0.0073*			6.4
72	0.0092*			6.4

*Estimated value, calculated by extrapolation of the calibration curve.

Conclusions:

The water solubility of the test item at 20°C was 0.0093 g/L (pH = 6.4).

Executive summary:

The water solubility of the test item was determined in a GLP-compliant study performed in accordance with EC A.6 Method and OECD Guideline No. 105, using the slow-stirring flask method. The water solubility of the test item at 20°C was 0.0093 g/L (pH = 6.4).

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

study well documented, meets generally accepted scientific principles, acceptable for assessment

Remarks:

The test procedure meets generally accepted scientific principals and is acceptable for assessment.

Qualifier:

no guideline followed

Principles of method if other than guideline:

Approximately 30 milligram of each sample was added to 1 gram of DI water. The sample solutions at room temperature (~20C) were shook for 16 hours and upper solution, which contains water, was used for GC analysis.

GLP compliance:

not specified

Type of method:

flask method

Key result

Water solubility:

220 mg/L

Temp.:

20 °C

Remarks on result:

other: Reported as 220 ppm. pH not determined.

Details on results:

Detected 1,4-diiodooctafluorobutane (DIOFB) in water phase was 220 ppm. Water solubility of DIOFB was determined to be 22 miligrams in 100 g of water.

Conclusions:

Interpretation of results : moderately soluble (100-1000 mg/L)
The solubility of DIOFB in D.I water was determined to be 220 mg/L at ~ 20 °C.

Executive summary:

The solubility of DIOFB in D.I water was determined by a shake flask method.Approximately 30 milligram of DIOFB was added to 1 gram of D.I water. The sample solution was shaken at room temperature (~20 °C) for 16 hours. The upper solution, which contains water, was analyzed using GC with an ECD detector.

The solubility of DIOFB in D.I water was determined to be 220 mg/L at ~ 20 °C.

This is not a guideline study, nor followed GLP. However, the test procedure meets generally accepted scientific principals and is acceptable for assessment. Therefore, it is considered reliable with restrictions, and assigned a Klimisch 2 justification.

Description of key information

The water solubility of the test item was determined in a GLP-compliant study performed in accordance with EC A.6 Method and OECD Guideline No. 105, using the slow-stirring flask method. The water solubility of the test item at 20°C was 9.3 mg/L. This experimental value is further supported by a non-GLP, non-guideline study reporting a water solubility of 220 mg/L at at 20°C.

Key value for chemical safety assessment

Water solubility:

9.3 mg/L

at the temperature of:

20 °C

Additional information

The water solubilty of the test item was determined in a 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. A non-GLP study is also reported for the endpoint and selected as supporting studies (Klimisch 2).