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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
May 18, 2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Test parameters documented do not totally comply with the specific testing guideline, but are sufficient to accept the data. The value of logKow is outside the applicability domain of the shake flask method (AD: from -2 to 4 logarithmic units; logKow = -2.43). It should be noted, however, that the substance is in any case extremely hydrophilic, and the result can be considered as representative for the substance.
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
ca. 0.004
Temp.:
20 °C
pH:
ca. 5.38
Type:
log Pow
Partition coefficient:
ca. -2.436
Temp.:
20 °C
pH:
ca. 5.38

Concentration of mother solution: W 1 = 0.0426 g / 100 ml = 0.4260 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.4253 0.0017 0.0041 -2.39169 -2.3520
70 / 30 0.4251 0.0021 0.0049 -2.31236
50 / 50 0.4245 0.0015 0.0035 -2.45788 -2.4579
50 / 50 0.4245 0.0015 0.0035 -2.45788
30 / 70 0.4238 0.0010 0.0022 -2.64901 -2.4974
30 / 70 0.4216 0.0019 0.0045 -2.3457
pH of the test solution: 5.38
Average Pow 0.0038 Average log Pow -2.4358
Std. dev. Pow 0.0006 Std. dev. log Pow 0.075
Conclusions:
log Pow = -2.4358 at 20 °C and pH 5.38
Executive summary:

Method

Partition coefficient was determined by means of shake flask method as per recommendations of OECD 107. Partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting in two largely immiscible solvents.

Result

Study conducted at 20 °C and at pH of 5.38

Average Pow = 0.0038 at 20 °C

log Pow = -2.4358 at 20 °C

Description of key information

logKow = -2.4358 ( 20 °C and pH 5.38)

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.436
at the temperature of:
20 °C

Additional information

Shake Flask method - OECD 107