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Solubility in organic solvents / fat solubility

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Endpoint:
solubility in organic solvents / fat solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
17 April 2020
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
no guideline followed
Principles of method if other than guideline:
The saturated solution of test substance was prepared in n-octanol and the quantification of the saturated solution was performed plotting the nD20 (refraction index) vs. known concentrations of reference samples.
GLP compliance:
not specified
Key result
Medium:
n-octanol
Solubility:
ca. 188 g/L
Temp.:
20 °C
Details on results:
The saturated solution of test substance was estimated to be 188 g/L at 20°C for n-octanol.

Result:

Sample

 

g/L

nD20

Calibration

 

126.7

 

1.4359

 

Calibration

 

101.4

 

1.4345

 

Calibration

 

76.0

 

1.4333

 

Calibration

 

50.7

 

1.4320

 

Calibration

 

25.3

 

1.4308

 

C12-18 TMAC saturated

 

187.8

 

1.4389

Conclusions:
Under the study conditions the n-octanol solubility of the test substance was determined to be 188 g/L at 20°C.
Executive summary:

A study was conducted to determine the n-octanol solubility of the test substance, C12 -18 TMAC (96.8% active), using the refraction index method for saturated solution of test substance. Under the study conditions, the n-octanol solubility of the test substance was determined to be 188 g/L at 20°C (Holtin, 2020).

Endpoint:
solubility in organic solvents / fat solubility
Type of information:
read-across based on grouping of substances (category approach)
Adequacy of study:
supporting study
Study period:
17 April 2020
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
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:
no guideline followed
Principles of method if other than guideline:
The saturated solution of test substance was prepared in n-octanol and the quantification of the saturated solution was performed plotting the nD20 (refraction index) vs. known concentrations of reference samples.
GLP compliance:
not specified
Key result
Medium:
n-octanol
Solubility:
169 g/L
Temp.:
20 °C
Details on results:
The saturated solution of test sunstance was estimated to be 169 g/L at 20°C for n-octanol

Result:

Sample

 

g/L

 

nD20

Calibration

 

122.6

 

1.4367

 

Calibration

 

98.1

 

1.4352

 

Calibration

 

73.6

 

1.4337

 

Calibration

 

49

 

1.4324

 

Calibration

 

24

 

1.4310

 

C12-14 TMAC saturated

 

168.5

 

1.4393

Conclusions:
Under the study conditions, the n-octanol solubility of the test substance was determined to be 169 g/L at 20°C.
Executive summary:

A study was conducted to determine the n-octanol solubility of the read across substance, C12 -14 TMAC (97% active), using the refraction index method for saturated solution of test substance. Under the study conditions, the n-octanol solubility of the test substance was determined to be 169 g/L at 20°C (Holtin, 2020).

Description of key information

The solubility in organic solvents of the test substance was determined using refractometric method by plotting the nD20 (refraction index) vs. known concentrations of reference samples (Holtin, 2012).

Key value for chemical safety assessment

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

Additional information

The n-octanol solubility value of another test sample containing majorly C12-14 chains was determined to 169 g/L at 20 °C. The n-octanol solubility of the more representative test sample has been considered as the key value.