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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:
2002-05-14 to 2002-05-16
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study
Remarks:
Deficiencies: The HPLC test was terminated one day after the expiration date of the test item. The expiation date was therefore excluded from the statement of compliance. However, the determination of the partition coefficient by the HPLC method is independent of minor changes of the purity of the compound.Therefore the result of the test was regarded as valid.
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:
1.6
Temp.:
25 °C
pH:
6.5

 

Number of analysis

Mean retention time [min]

k‘

Log k‘

Log Pow

Thiourea (= dead time)

2

1.77

-

-

-

Benzil alcohol

6

2.28

0.29

-0.54

1.1

Nitrobenzene

6

3.08

0.73

-0.13

1.9

Bromobenzene

6

4.97

1.80

0.26

3.0

Isopropylbenzene

6

6.86

2.87

0.46

3.7

Fluoranthene

6

11.80

5.65

0.75

4.7

DDT

6

19.55

10.02

1.00

6.2

Itest item

3

2.76

0.55

-0.26

1.6

2.75

0.55

-0.26

1.6

2.76

0.55

-0.26

1.6

Linear Regression:

slope =

0.301

y-axis intercept =

-0.735

coefficient of regression =

0.982

Conclusions:
Using the HPLC method according to OECD test guideline 117 the log Pow of the test item was determined to be 1.6 at 25 °C.
Executive summary:

The determination of the partition coefficient (n-octanol/water) of the test item was performed according to the Regulation (EC) 440/2008 Part A, A.8 "Partition coefficient" (1992) and the OECD guideline No. 117, "Partition coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method" (1989). Based on the model calculation during the preliminary test, the log Pow was estimated to be 1.4. Therefore the HPLC-method was chosen to conduct the main test. Six common standards, which have known log Pow values in the range of 1.1 to 6.2, were used as reference standards during the main test. Using the corresponding log Pow values of the reference items from the OECD guideline, the regression coefficients were calculated. The log Pow value of the test item was calculated from the calibration equation to be 1.6. Due to an error in lab coordination, the HPLC test was terminated one day after the expiration date of the test item. The expiration date was therefore excluded from the statement of compliance. However, the determination of the partition coefficient by the HPLC method is independent of minor changes of the purity of the compound. Therefore the result of the test was regarded as valid.

Description of key information

Using the HPLC method according to OECD test guideline 117 the log Pow of the test item was determined to be 1.6 at 25 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.6
at the temperature of:
25 °C

Additional information

The determination of the partition coefficient (n-octanol/water) of the test item was performed according to the Regulation (EC) 440/2008 Part A, A.8 "Partition coefficient" (1992) and the OECD guideline No. 117, "Partition coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method" (1989). Based on the model calculation during the preliminary test, the log Pow was estimated to be 1.4. Therefore the HPLC-method was chosen to conduct the main test. Six common standards, which have known log Pow values in the range of 1.1 to 6.2, were used as reference standards during the main test. Using the corresponding log Pow values of the reference items from the OECD guideline, the regression coefficients were calculated. The log Pow value of the test item was calculated from the calibration equation to be 1.6. Due to an error in lab coordination, the HPLC test was terminated one day after the expiration date of the test item. The expiration date was therefore excluded from the statement of compliance. However, the determination of the partition coefficient by the HPLC method is independent of minor changes of the purity of the compound. Therefore the result of the test was regarded as valid.

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