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Solubility in organic solvents / fat solubility

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Reference
Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
April 13, 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study
Qualifier:
equivalent or similar to guideline
Guideline:
other: the screening test is similar to the preliminary test in OECD guideline for the testing of chemicals, No. 105, Water Solubility
Version / remarks:
see 'Principles of method if other than guideline'
Principles of method if other than guideline:
The solubility of the test substance is investigated in a combined screening test (which is similar to OECD TG 105) followed by LCMS analysis of solutions obtained in the screening test.

GLP compliance:
not specified
Key result
Medium:
n-octanol
Solubility:
200 g/L
Temp.:
23 °C
Remarks on result:
other: analysed using LCMS

Screening test results

Test

Approximate concentration

Result

F1

2000 g/l

Powder, no solution

F2

1000 g/l

Powder, no solution

F3

500 g/l

Highly viscous gel with undissolved material. Almost no solution

F4

250 g/l

Clear solution

LCMS results

Test

Determined concentration

F3

200 g/l

F4

210 g/l

Average

200 g/l

The results for F3 and F4 are similar and indicate that F4 is close to saturation, even if no undissolved material was present.

Conclusions:
Under the study conditions, the octanol solubility of the test substance was determined to be 200 g/L at 23°C.
Executive summary:

A study was conducted to determine the solubility of the test substance, C18 TMAC (Purity: 99.2%) in organic solvents according to a method that is similar to OECD Guideline 105. The octanol solubility for the test substance was evaluated with a combined screening test and a LCMS analysis. The measurement was performed at room temperature, approximately 23°C. Under the study conditions, the octanol solubility of the test substance was determined to be 200000 mg/L at 23 °C (Farnback, 2012).

Description of key information

The solubility in organic solvents of the test substance was determined using LCMS analysis according to a method that is similar to OECD Guideline 105 (Farnback, 2012).

 

Key value for chemical safety assessment

Solubility in organic solvents at 20°C:
200 g/L

Additional information