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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
October from 27 to 30, 2015
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
GLP compliance:
no
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
0.003
Temp.:
20 °C
Remarks on result:
other: pH not specified
Type:
log Pow
Partition coefficient:
-2.46
Temp.:
20 °C
Remarks on result:
other: pH not specified
Details on results:
By means of the flask method, the saturation concentration of the test item in n-octanol was determined to be 2.44 g/l.
By means of the flask method, the saturation concentration of the test item in water was determined to be 705.6 g/l
Hence, the Pow was calculated to be 0.003458, corresponding to a log Pow of -2.46.

The recovery range for the determination of test item in n-octanol was from 97.0 % to 99.0 %, indicating a sufficient accuracy of the analytical method.

PRELIMINARY ESTIMATION
According to preliminary test, the solubility of the test item in n-octanol resultesd to be below 3.3 g/l (without correction of the purity); water solubility was determined to be 705.6 g/l. Therefore, the partition coefficient was calculated as log Pow< -2.3.

DETERMINATION OF THE SOLUBILITY IN THE n-OCTANOL PHASE - FLASK METHOD

Experiment  A B C D (blank)
Amount of test item (mg) 1000 1000 1000 --
Stirring time at 30 °C (h) 24 48 72 72
Measured concentration (mg/l) 12.3 12.3 12.1 --
Dilution

1 ml/10 ml

0.5 ml/10 ml

1 ml/10 mll

0.5 ml/10 ml

1 ml/10 ml

0.5 ml/10 ml

 --
n-Octanol solubility (g/l) 2.45 2.45 2.41 --

Recovery

Standard Measured concentration (mg/l) % Recovery
Standard 2 (c =2.525 mg/l) 2.5 99.0
Standard 3 (c =5.05 mg/l) 4.9 97.0
Standard 5 (c =20.2 mg/l) 20.0 99.0

PRELIMINARY VISUAL ESTIMATION

Amount of test item in mg Volume in ml Total volume in ml Stirring time Appearance of mixture
10 1 1 60 min undissolved
10 2 3 60 min undissolved
10 2 5 60 min dissolved

Appearance of the test mixtures

Conclusions:
log Pow: -2.46 (Pow = 0.003458) at 20 °C
Executive summary:

The n-octanol/water partition coefficient of the test substance was investigated in a study conducted according to OECD Guidelines 107 and EU Method A.8. Flask method was used for this purpose. The partition coefficent n-octanol/water (log Pow) of the test item at 20 °C, determined from the individual solubility in water and n-octanol, was determined to be -2.46 (Pow = 0.003458).

Conclusion

log Pow: -2.46 (Pow = 0.003458) at 20 °C

Description of key information

log Pow: -2.46 (Pow: 0.003458) at 20 °C

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.46
at the temperature of:
20 °C

Additional information

OECD Guidelines 107 and EU Method A.8 - estimation method (solubility ratio)