Registration Dossier

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2004-07-02 to 2004-11-25
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2005
Report date:
2005

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
The determination was carried out using the flask method, Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
1,4-dithiane-2,5-diol
EC Number:
254-751-6
EC Name:
1,4-dithiane-2,5-diol
Cas Number:
40018-26-6
Molecular formula:
C4H8O2S2
IUPAC Name:
1,4-dithiane-2,5-diol
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: approximately 4°C, in the dark

Results and discussion

Water solubility
Key result
Water solubility:
5.17 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
10 g/L
Incubation duration:
24 h
Temp.:
20 °C
pH:
>= 5.4 - <= 5.6

Any other information on results incl. tables

Preliminary test

The preliminary estimate of water solubility was 4.67 g/L.

Definitive test

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

 Sample Number

 Time Shaken at ~ 30ºC (hours)

 Time Equilibrated at 20ºC (hours)

 Concentration (g/L)

  Solution pH

 1

 24

 24

 5.19

 5.6

 2

 48

 24

 5.07

 5.4

 3

 72

 24

 5.26

 5.5

Mean concentration:  5.17 g/L at 20.0 ± 0.5ºC

Range:     5.07 to 5.26 g/L

Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 2.5 g/L.  This was satisfactory with a correlation coefficient of 0.999 being obtained.

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

At a nominal concentration of 4.5 g/L, a mean percentage recovery of 90.3% was obtained (range 89.3 to 91.5%).

Concentrations have been corrected for recovery of analysis.

Applicant's summary and conclusion

Conclusions:
The water solubility of the test material has been determined to be 5.17 g/L of solution at 20.0 ± 0.5°C.