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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:
2014
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
In accordance with test guidelines EC A.8 and OECD 107. Restrictions: - the study report does not mention the quality of the n-octanol and water. - the study report does not mention the pH of the water used and of the aqueous phase. - the study report does not mention whether the test temperature was kept constant at +/- 1°C. - a non-substance specific analytical method was used.
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
(1995)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
other: XRF on the element P
Type:
log Pow
Partition coefficient:
-0.44
Temp.:
23 °C
Remarks on result:
other: Temperature during shaking: room temperature. Temperature during phase-separation: 23°C. No buffer was used.
Type:
Pow
Partition coefficient:
0.36
Temp.:
23 °C
Remarks on result:
other: No buffer was used.
Details on results:

The six log Pow values were within the criterion range of ± 0.3 log units.

Table: Phosphorus XRF intensities and concentrations for each phase and calculated Log Pow for test substance

XRF P Intensity

Octanol : Water

Ratio

Concentration in Octanol Phase g/L

D

Concentration in Aqueous Phase g/L

E

log Pow

Octanol phase

Aqueous phase

0.6125

0.82293

1:2

0.47267

1.308356

-0.4422

0.6099

0.80674

1:2

0.470564

1.276852

-0.4335

0.92677

1.3009

1:1

0.727242

2.238411

-0.4883

0.9137

1.31216

1:1

0.716654

2.260321

-0.4989

1.6985

1.88915

2:1

1.352374

3.383053

-0.3982

1.6895

1.87555

2:1

1.345083

3.35659

-0.3971

Average Log Pow :-0.4430

S.D.: 0.0433

 

Table: % Recovered

C

F

(=A*D / 1000)

G

(=B*E / 1000)

H

(=F + G)

I

(=H/C*100)

Initial grams of test substance

g of test substance in octanol phase

(after phase separation)

g of test substance in aqueous phase

(after phase separation)

total g of test substance

% Recovered

0.15605

0.023634

0.130836

0.154469

98.99

0.15605

0.023528

0.127685

0.151213

96.90

0.3121

0.072724

0.223841

0.296565

95.02

0.3121

0.071665

0.226032

0.297698

95.39

0.3121

0.135237

0.169153

0.30439

97.53

0.3121

0.134508

0.167829

0.302338

96.87

Average % Recovered:

96.8

S.D.:

1.4

 

Conclusions:
Using the shake-flask method, the log Pow of the substance at ca. 23°C has been determined as -0.44.

Description of key information

Log Pow at ca. 23°C: -0.44 (EC A.8 and OECD 107: shake-flask method)

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.44
at the temperature of:
23 °C

Additional information

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