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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:
From April 26, 2004 to April 27, 2004
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
yes
Other quality assurance:
other: This report was inspected by the NOTOX Quality Assurance Unit to confirm that the methods and results accurately and completely reflect the raw data.
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identification: PARAD Substance 139
Batch: 31104251
Physical state: slightly yellowish viscous liquid
Purity: n.a. (mixture)
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 0.3 - <= 0.7
Temp.:
23.3 °C
pH:
2
Remarks on result:
other: Pow = <2.0-5.5; for 63% of the components of the test substance (based on area %)
Key result
Type:
log Pow
Partition coefficient:
>= 0.3 - <= 3
Temp.:
23.3 °C
pH:
2
Remarks on result:
other: Pow = <2-1000; for 25.3% of the components (based on area %)
Key result
Type:
log Pow
Partition coefficient:
>= 0.4 - <= 3.7
Temp.:
23.3 °C
pH:
2
Remarks on result:
other: Pow = 38-5200; for 11.7% of the components of the test substance (based on area %)
Details on results:
See above.
Conclusions:
Under the study conditions, the partition coefficient of the test substance was determined to range from <0.3 -3.7
Executive summary:

A study was conducted to determine the partition coefficient (octanol/water) of the test substance, according to OECD guideline 117 and EU Method A.8.

The test substance is a mixture of compounds, so the HPLC method was chosen for the determination of the partition coefficient (n-octanol/water). Using 50/50 (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 twelve small test substance peaks were observed in the HPLC chromatograms of the test substance.The corresponding Powand log Powvalues for the major component was 5.5 (log Pow= 0.7, 37% of total based on peak area). For the minor components, Powvalues ranged from < 2.0 to 5200(log Powbetween the < 0.3 and 3.7).

Under the study conditions, the partition coefficient of the test substance, which is a UVCB substance with different components, was determined to range from <0.3 -3.7 (Baltussen, 2004).

Description of key information

The partition coefficient (octanol/water) was determined according to OECD guideline 117 and EU Method A.8 (HPLC) (Baltussen, 2004).

Key value for chemical safety assessment

Log Kow (Log Pow):
3
at the temperature of:
23.3 °C

Additional information

The partition coefficient of the components present at >10% of the test substance composition ranged from <0.3-3.0. The higher log Kow of 3 has been considered further for risk assessment as a worst case approach.