Cyanoguanidine

Partition coefficient

Link to relevant study record(s)

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

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Deviations:

no

Qualifier:

according to guideline

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