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EC number: 203-929-1 | CAS number: 112-03-8
Solubility in organic solvents / fat solubility
Administrative data
Link to relevant study record(s)
- 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
- 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).
Reference
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.
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
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