4-trans-Methoxy-4-trans-propyl-[1,1-bicyclohexyl]

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2007-01-09 to 2007-01-18

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

gas chromatography

Key result

Type:

log Pow

Partition coefficient:

> 4.6

Temp.:

26 °C

pH:

>= 6.5 - <= 7

Experiment	1A	1B	2A	2B	3A	3B
Volume of the test substance solution (mL)	10	10	10	10	10	10
Volume of n-octanol (mL)	0	0	10	10	30	30
Volume of distilled water (mL)	20	20	20	20	20	20
Total volume of the aqueous phase (mL)	20	20	20	20	20	20
Total volume of the n-octanol phase (mL)	10	10	20	20	40	40
Concentration found in n-octanol phase (g/L)	2.40	2.40	1.25	1.23	0.63	0.63
Concentration found in aqueous phase (mg/L)	< 0.05	< 0.05	< 0.05	< 0.05	< 0.05	< 0.05
Mass balance (%)	106.3	106.3	110.4	109.1	110.6	111.7
pH aqueous phase (24°C)	6.7	6.5	7.0	6.7	6.9	6.6

The given values of the concentrations in the aqueous and the octanol phases are mean values each of two measurements.

 

Experiment	Pow	log Pow	Average log Pow
1A	> 43923	> 4.643	> 4.64
1B	> 43919	> 4.643
2A	> 22802	> 4.358	> 4.36
2B	> 22548	> 4.353
3A	> 11430	> 4.058	> 4.06
3B	> 11538	> 4.062

 

Standard	Measured concentration (mg/L)	% Recovery
Standard 8 in water (c = 1.37 mg/L)	1.39 / 1.38	101.3
Standard 4 in water (c = 7.74 mg/L)	7.47 / 7.02	93.6
Standard 6 in octanol (c = 240 mg/L)	224 / 212 / 225	91.4
Standard 3 in octanol (c = 2019 mg/L)	1920 / 1871 / 1877	93.6

Recoveries of the standards ranged between 91.4 % and 101.3 %, indicating a sufficient accuracy of the analytical method.

Conclusions:

The partition coefficient n-octanol/water of the test item was determined to log Pow > 4.6 (reference 4.7-1).

Executive summary:

The shake flask method was used to determine the log Pow of the test item according to the test guidelines described in Regulation (EC) No 440/2008, method A.8 and OECD Guideline No. 107. Gas chromatography (GC) was used as analytical method. A test series with three different concentrations of the test item was performed. The partition coefficient n-octanol/water of the test item was determined to log Pow > 4.6.

Description of key information

The partition coefficient n-octanol/water of the test item was determined to log Pow > 4.6 (reference 4.7-1).

Key value for chemical safety assessment

Log Kow (Log Pow):

4.6

at the temperature of:

24 °C

Additional information

The shake flask method was used to determine the log Pow of the test item according to the test guidelines described in Regulation (EC) No 440/2008, method A.8 and OECD Guideline No. 107. Gas chromatography (GC) was used as analytical method. A test series with three different concentrations of the test item was performed. The partition coefficient n-octanol/water of the test item was determined to log Pow > 4.6.