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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:
2020-12-08 to 2020-12-09
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.76
Temp.:
22.32 °C
pH:
7.425
Remarks on result:
other: SD +/- 0,02

Mass Balance for the Test Item in n-Octanol- and Aqueous Phase

 n-octanol / water ratio Nominal mass1)[mg]   Repl.  Meas. conc. in n-octanol [mg/L] Mass in n-octanol [mg]   Meas. conc. in aq. phase [mg/L]  Mass in aq. phase [mg] Sum mass [mg]   RR [%]
2:1     34.9     1  937 30.9 17.6   0.3 31.2   89
 2  939  31 16.3  0.277 31.3   89
1:1     26.5      1  971  24.3  16.9  0.423 24.7   93
 2  970  24.2  17.2  0.43  24.7  93
1:2 18.0  1  963  16.4  15.6  0.516  16.9  94
 2  946  16.1  15.8  0.521  16.6  92

1) = Based on the measured concentration of the stock solution at test start

Repl. = Replicate

Meas. conc. = Measured concentration, mean value of two injections, dilution factors taken into account

aq. phase = Aqueous phase

RR = Recovery rate, related to the nominal

Concentrations in n-Octanol- and Aqueous Phase, log POW

n-octanol / water ratio

 Repl.

 Meas. conc. in n-octanol [mg/L]

 Meas. conc. in aq. phase [mg/L]

POW

log POW    

Diff

mean +/- SD (max-min)

2:1    

 1

 937

17.6 

 53.14

1.73 

1.76

0.02

0.06

 

 2

 939

16.3

 57.67

1.76 

1:1    

 1

 971

 16.9

 57.31

1.76 

 2

 970

 17.2

 56.37

 1.75

1:2

 1

 963

 15.6

 61.56

 1.79

 2

 946

 15.8

 59.96

 1.78

SD = Standard deviation

Conclusions:
The partition coefficient (n-octanol / water) of the test item was determined at 22.32 °C to be 1.76 ± 0.02.

Description of key information

Based on experimental data the partition coefficient (n-octanol / water) of the test item was determined at 22.32 °C to be 1.76 ± 0.02.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.76
at the temperature of:
22.32 °C

Additional information