Reaction mass of sodium 1-methoxy-1-oxohexadecane-2-sulphonate and sodium methyl 2-sulphooctadecanoate

Solubility in organic solvents / fat solubility

Administrative data

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

16 March 2010 - 14 June 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

other: OECD Guideline no. 105: "Water Solubility"

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

other: EC Guideline A.6: “Water Solubility”

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

Reaction mass of sodium 1-methoxy-1-oxohexadecane-2-sulphonate and sodium methyl 2-sulphooctadecanoate

EC Number:

911-616-2

Molecular formula:

UVCB substances, not univocal molecular formula available

IUPAC Name:

Reaction mass of sodium 1-methoxy-1-oxohexadecane-2-sulphonate and sodium methyl 2-sulphooctadecanoate

Results and discussion

Solubility in organic solvents / fat solubility

Solubility in organic solvents / fat solubility 1

Medium:

n-octanol

Solubility:

4.07 g/L

Temp.:

20 °C

Remarks on result:

other: Based upon the main component sodium methyl 2-sulphohexadecanoate

Solubility in organic solvents / fat solubility 2

Medium:

n-octanol

Solubility:

3.95 g/L

Temp.:

20 °C

Remarks on result:

other: Based upon component sodium methyl 2-sulphooctadecanoate

Any other information on results incl. tables

Preliminary test:

The content of test substance dissolved in the n-octanol sample was 0.94 g/l, based upon the main component sodium methyl 2-sulphohexadecanoate, and 1.65 g/l based upon component sodium methyl 2-sulphooctadecanoate.

 

Main study:

The results for the samples taken at 24, 48 and 72 hours are given in the tables below.

 

The 24-hour measurement was significantly lower higher than the 48- and 72- hour measurements (maximum difference > 15%). The octanol solubility of the test substance was therefore given as the mean value of the 48- and 72-hour measurements.

 

No test substance was detected in the pretreated samples from the blank n-octanol mixture.

 

Table: n-Octanol solubility of the test substance (based upon sodium methyl 2-sulphohexadecanoate)

Stirring time [hours]	Analysed concentration [g/l]	Mean^1 [g/l]	MD^1 [%]
24	2.86
48	4.19
72	3.95	4.07	5.8

¹              mean value and maximum deviation of48- and 72-hour measurements

 

Table: n-Octanol solubility of the test substance (based upon sodium methyl 2-sulphooctadecanoate)

Stirring time [hours]	Analysed concentration [g/l]	Mean^1 [g/l]	MD^1 [%]
24	2.68
48	4.15
72	3.74	3.95	10.3

¹              mean value and maximum deviation of48- and 72-hour measurements

 

Additional test:

The content of test substance dissolved in the n-octanol sample was 2.60 g/l, based upon the main component sodium methyl 2-sulphohexadecanoate, and 2.19 g/l based upon component sodium methyl 2-sulphooctadecanoate.

 

Because the concentration analysed in this additional test with a higher saturation factor was not higher than in the main study, it was decided to report the results of the main study.

Applicant's summary and conclusion

Conclusions:

The flask method was chosen for the determination of the n-octanol solubility of MIZULAN FL-80. The n-octanol solubility of the test substance at 20°C was 4.07 g/l, based upon the main component sodium methyl 2-sulphohexadecanoate, and 3.95 g/l based upon component sodium methyl 2-sulphooctadecanoate.