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Physical & Chemical properties

Solubility in organic solvents / fat solubility

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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:
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.
Qualifier:
according to
Guideline:
other: OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Key result
Medium:
isopropanol
Solubility:
614 g/L
Temp.:
20 °C
Remarks on result:
other: Similar results at 10 and 30°C. (Solubility was calculated as the sum of the solubilities of C8-TMAC, C10-TMAC, C12-TMAC, C14-TMAC, C16-TMAC, C18-TMAC and C18:1-TMAC)
Key result
Medium:
other: n-hexane
Solubility:
< 0.214 mg/L
Temp.:
20 °C
Remarks on result:
other: Similar results at 10 and 30°C. (Solubility was calculated as the sum of the solubilities of C8-TMAC, C10-TMAC, C12-TMAC, C14-TMAC, C16-TMAC, C18-TMAC and C18:1-TMAC)
Key result
Medium:
n-octanol
Solubility:
243 g/L
Temp.:
20 °C
Remarks on result:
other: Solubility was calculated as the sum of the solubilities of C8-TMAC, C10-TMAC, C12-TMAC, C14-TMAC, C16-TMAC, C18-TMAC and C18:1-TMAC
Test substance stable:
yes
Details on results:
The solubility of test substance in isopropanol, n-hexane and n-octanol was 614, <2.14 x 10(-4) and 243 g/L, respectively, at 20°C. Test substance showed no temperature dependence of solubility.
Conclusions:
Based on the results of the read across study, the solubility of the test substance in isopropanol, n-hexane and n-octanol is considered to be 614, <2.14 x 10(-4) and 243 g/L, respectively, at 20°C.
Executive summary:

A study was conducted to determine the solubility of the read across substance, Coco TMAC (98.4% active), in organic solvents using the flask method, according to the OECD 105 Guideline, in compliance with GLP. Under the study conditions, the solubility of the substance in isopropanol, n-hexane and n-octanol was determined to be 614, < 2.14 x 10-4 and 243 g/L, respectively, at 20°C. The substance showed no temperature dependence of solubility (Brekelmans, 2012). Based on the results of the read across study, the solubility of the test substance in organic solvents is expected to be in same range.

Description of key information

The solubility in organic solvents of the read across substance, Coco TMAC was determined using the flask method, according to OECD Guideline 105 (Brekelmans, 2012).

Key value for chemical safety assessment

At the temperature of:
20 °C
Solubility in organic solvents at 20°C:
243 g/L

Additional information

(n-octanol solubility)