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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From March 19, 2004 to March 22, 2004
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.7
Temp.:
20.7 °C
pH:
7
Details on results:
Using 60/40 (v/v) methanol/Milli-Q water as the mobile phase, a 125 mm LiChrospher 100 RP-18 column and a spectrophotometric detector set to read the absorbance at 210 nm, one large and thirteen small test substance peaks were observed in the HPLC chromatograms of the test substance. It was assumed that all peaks derive test substance.

For the major component Pow is 4.8x10*2 (log Pow = 2.7). For the minor components, Pow values range from <1.3x10*1 to 4.2x10*3 (log Pow between the <1.1 and 3.6) except for one additional component for which Pow is >1.6x10*6 (log Pow value > 6.2).

The temperature of the column oven was 20.7 ± 0.5°C during the test.

Using 60/40 (v/v) methanol/Milli-Q water as the mobile phase, a LiChrospher 100 RP-18 column and a spectrophotometric detector set to read the absorbance at 210 nm, one large and thirteen small test substance peaks were observed in the chromatograms of the 127 mg/l test substace solution which were recorded for 40 minutes. The temperature of the column oven was 20.7 ± 0.5°C during the test. It was assumed that the large peak derives from the major component of the test substance whereas the small peaks derive from impurities.

The t0 (the retention time of the unretarded component) was determined to be 1.077 minutes as a mean value of both measurements (i.e. 1.074 and 1.079 minutes).

Conclusions:
Under the study conditions, for the major component Pow is 4.8x10^2 (log Pow = 2.7). For minor components, Pow values range from <1.3x10^1 to 4.2x10^3 (log Pow between <1.1 and 3.6) except for one additional component for which Pow is >1.6x10^6 (log Pow value > 6.2).
Executive summary:

A study was conducted to determine partition coefficient according to OECD Guideline 117 and EU Method A.8 (HPLC method). The test substance is a mixture of components. Under the study conditions, for the major component Pow is 4.8x10^2 (log Pow = 2.7). For minor components, Pow values range from <1.3x10^1 to 4.2x10^3 (log Pow between <1.1 and 3.6) except for one additional component for which Pow is >1.6x10^6 (log Pow value > 6.2) (Baltussen, 2004).

Description of key information

The partition coefficient was determined according to OECD Guideline 117 and EU Method A.8 (Baltussen, 2004).

Key value for chemical safety assessment

Log Kow (Log Pow):
2.7
at the temperature of:
20.7 °C

Additional information

The log Kow of the major component is 2.7 and for the minor components, the log Kow ranges from <1.1 to 3.6.