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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:
May - August 1988
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes
Remarks:
The study was conducted in compliance with the current GLP Regulations for non-clinical laboratory studies as set forth by the US FDA (21 CFR 58) and the US EPA (40 CFR 160 and 40 CFR 792), as well as in accordance with the OECD Principles of GLP.
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
Pow
Partition coefficient:
0.1
Temp.:
20 °C
pH:
7.4
Key result
Type:
log Pow
Partition coefficient:
-1
Temp.:
20 °C
pH:
7.4
Details on results:
- preliminary test: a partition coefficient of 0.1 was calculated (the absorption at 216 nm and 214 nm for the diluted n-octanol and water samples, respectively, was used)
- no significant differences were observed ehen comparing teh absorbance coefficient of the diluted n-octanol and water phases, resulting from teh preliminary test and the same dilutions after 3 or 4 hours, respectively => it was concluded that the test substance solution is atble for at least 4 hours in n-octanol and 3 hours in Milli-Q water at the concentrations tested
- an overall partition coefficient of 0.10 was calculated (log Pow = -1.0)
- individual values fall within the range of +/- 0.3 log units and therfore meet the quality criterion
- temperature of measurements was 20.0 +/- 0.5 °C
- pH value of the water phases and the saturated buffer solution was 7.4

Table 3: Individual measurements of the partition coefficient (n-octanol/water). Temperature of measurement: 20.0 +/- 0.5 °C

Volume [ml]

Concentration after equilibrium

Total amount after equilibrium

Calculated partition coefficient

Mean partition coefficient

Octanol stock solution*

Octanol

Buffer

Octanol

[µg/ml]

Buffer

[µg/ml]

n-Octanol

[µg]

Buffer

[µg]

2

2

8

34.3

342.2

137.2

2737.4

0.100

0.100

2

2

8

32.7

330.0

130.8

2639.7

0.099

 

2

4

6

48.5

433.9

291.1

2603.7

0.112

0.110

2

4

6

46.2

430.2

277.0

2581.1

0.107

 

2

6

4

59.4

596.4

475.1

2385.7

0.100

0.100

2

6

4

59.5

596.4

476.3

2385.7

0.100

 

Mean value:

0.103

 

Relative standard deviation:

5%

 

* concentration of the test substance in n-octanol stock solution: 1.217 mg/ml (after UV analysis)

Conclusions:
The partition coefficient (n-octanol/water) for dicyandiamide was determined to be 0.10 (log Pow = -1.0) at 20.0 +/- 0.5 °C.
Executive summary:

This study was performed in compliance with Good Laboratory Practice (GLP).

This study was carried out in accordance with the OECD guideline for testing of chemicals number 107 (May 1981) and the EC method A.8, Official Journal of the European Communitites 92/69/EEC, No L 383 (Dec. 1992) with the shake flask method. The octanol/water partition coefficient (Pow) and its logarithm to base 10 (log Pow) were determined to be:

Pow                = 0.10 at 20 +/- 0.5 °C

log Pow           = -1.0 at 20 +/- 0.5 °C

Description of key information

There is one GLP guideline study according OECD 107 and EC method A.8 using the shake flask method. 

Key value for chemical safety assessment

Log Kow (Log Pow):
-1
at the temperature of:
20 °C

Additional information

This study was carried out in accordance with the OECD 107 (May 1981) and the EC method A.8 (Dec. 1992) with the shake flask method. The octanol/water partition coefficient (Pow) and its logarithm to base 10 (log Pow) were determined to be:

Pow = 0.10 at 20 +/- 0.5 °C

log Pow = -1.0 at 20 +/- 0.5 °C