Registration Dossier

Diss Factsheets

Physical & Chemical properties

Solubility in organic solvents / fat solubility

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 December 2004 - 27 January 2005
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
other: CIPAC ''Solubility in organic solvents'', 1998
Deviations:
yes
Remarks:
Samples were incubated for 6h and 12h to ensure accuracy of results for xylene (decreasing staturation concentration with increasing incubation time was observed for p-xylene)
Qualifier:
according to guideline
Guideline:
other:
Version / remarks:
OECD Guidelines for Testing of Chemicals, Guideline No. 105, "Water Solubility", adopted July 27, 1995
Qualifier:
according to guideline
Guideline:
other:
Version / remarks:
EEC directive 92/69, Annex V, Part A, Methods for the determination of physico-chemicals properties, A6 "Water Solubility", 1992
GLP compliance:
yes (incl. QA statement)
Specific details on test material used for the study:
- Batch number: ZR027180PUH301
- Purity: 99.6% (w/w)
- Expiration date: 18 October 2008
- Storage conditions: in original container, at room temperature, in the dark
Medium:
methanol
Solubility:
> 250 g/L
Temp.:
20 °C
Medium:
acetone
Solubility:
9.538 g/L
Medium:
ethyl acetate
Solubility:
0.084 g/L
Medium:
other: heptane
Solubility:
< 10 mg/L
Medium:
other: dichloromethane
Solubility:
9.935 g/L
Medium:
other: xylene
Solubility:
0.022 g/L
Details on results:
Preliminary test
The solubility of the test item in methanol was estimated to be higher than >250 g/L. Therefore, no main test using the flask method was performed.
The solubility of the test item in dichloromethane, acetone, ethyl acetate, n-heptane and p-xylene was lower than 250 g/L and for this reason, the solubility of the test item in these solvents was determined using the flask method (main test).

Main test
The saturation concentrations were qualified after incubation periods of 72h, 48h and 24h. For xylene additional saturation concentrations after incubation times of 12hh and 6h were determined.
For quantification an HPLC method was used.
The solubility on n-heptane was below the limit of quantification of 10 mg/L.
For dichloromethane, acetone and ethyl acetate no differences higher than 12% were found between the relevant samples (72h, 48h, 24h). Therefore, the study is considered to be valid.
For p-xylene a decreasing saturation concentration was observed with increasing incubation time. The maximum saturation concentration was measured after incubation time of 6h and 12h. Prolongation of incubation time resulted in lower concentrations. Therefore, the saturation concentration of the test item in p-xylene was determined after incubation period of 6h and 12h. No differences higher than 12% were found between the relevant samples.
The results are shown in the table above.
Conclusions:
Based on the preliminary test, the solubility of the test item in methanol was estimated to be higher than >250 g/L, but lower than 250 g/L for acetone, dichlorometane, n-heptane, p-xylene and ethyl acetate. For the latter solvents, the solubility was determined using the shake flask method to be 9.538 g/L, 9.935 g/L, <10 mg/L, 0.022 g/L and 0.084 g/L, respectively.

Description of key information

Based on a key study (K1, Meinerling, 2005) according to CIPAC MT 181, EC A.6 and OECD 105, the solubility of the test item was estimated to be higher than >250 g/L in methanol, but lower than 250 g/L in acetone, dichlorometane, n-heptane, p-xylene and ethyl acetate based on a preliminary test using visual observation. For the latter solvents, the solubility was determined using the shake flask method to be 9.538 g/L, 9.935 g/L, <10 mg/L, 0.022 g/L and 0.084 g/L, respectively.

Key value for chemical safety assessment

Additional information

Categories Display