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Diss Factsheets

Physical & Chemical properties

Solubility in organic solvents / fat solubility

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
solubility in organic solvents / fat solubility
Type of information:
read-across based on grouping of substances (category approach)
Adequacy of study:
key study
Study period:
From July 18, 2011 to April 23, 2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
KL2 due to RA
Justification for type of information:
Refer to the Quaternary ammonium salts (QAS) category or section 13 of IUCLID for details on the category justification.
Reason / purpose for cross-reference:
read-across source
Qualifier:
according to guideline
Guideline:
other: Organization for Economic Co-operation and Development (OECD), OECD Guidelines for the Testing of Chemicals no. 105: "Water Solubility", July 27, 1995.
Deviations:
no
Qualifier:
according to guideline
Guideline:
other: European Community (EC), EC no. 440/2008, Part A: Methods for the Determination of Physico- Chemical Properties, Guideline A.6: “Water Solubility”, Official Journal of the European Union no. L142, May 31, 2008.
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Key result
Medium:
isopropanol
Solubility:
549 g/L
Temp.:
10 °C
Key result
Medium:
isopropanol
Solubility:
568 g/L
Temp.:
20 °C
Key result
Medium:
isopropanol
Solubility:
586 g/L
Temp.:
30 °C
Key result
Medium:
other: hexane
Solubility:
0 g/L
Temp.:
10 °C
Remarks on result:
other: Similar solubility was observed at 20 and 30°C
Key result
Medium:
n-octanol
Solubility:
459 g/L
Temp.:
20 °C
Conclusions:
Under the conditions of the study, the solubility of the read across susbtance was estimated to be 549, 568, 586 g/L at 10, 20 and 30°C for isopropanol, <0.00003 g/L at 10, 20 and 30°C for hexane and 459 g/L at 20°C for n-octanol, respectively.
Executive summary:

A study was conducted to determine the solubility in different solvents of the read across substance, C12-16 ADBAC (purity: 99.2%) according to OECD Guideline 105 and EU Method A.6, in compliance with GLP. The solubility in isopropanol, n-hexane and n-octanol was determined using the flask method. A preliminary test was carried out as a range-finding test prior to performance of the flask method. The solubility in n-octanol was determined at 20°C. The solubility in isopropanol and n-hexane were determined at 10°C, 20°C and 30°C. The results were given as the mean value of the analysed concentrations. Under the conditions of the study, the solubility of the read across susbtance was estimated to be 549, 568, 586 g/L at 10, 20 and 30°C for isopropanol, <0.00003 g/L at 10, 20 and 30°C for hexane and 459 g/L at 20°C for n-octanol, respectively (Brekelmans, 2012).

Description of key information

The solubility in organic solvents was determined based on the read across substance, C12 -16 ADBAC using LCMS analysis according to a method that is similar to OECD Guideline 105 (Brekelmans, 2012).

Key value for chemical safety assessment

Additional information

Solubility in octanol: 459 g/L at 20.3 ± 0.5°C