2-hydroxypropyl [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] carbonate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1994-03-14 to 1994-06-08

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

According to ECHA Guidance R.7a none of the experimental methods, that are available for the determination of partition coefficient, are very well suited for surface active substances. However, this study worked well, is considered to be valid and used as key study rated with RL2.

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Version / remarks:

1992

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

signed 1994-03-16

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

gas chromatography

Key result

Type:

log Pow

Partition coefficient:

3.72

Temp.:

23 °C

pH:

6.6

RESULTS

Sample number	Volume of n-octanol (mL)	Volume of water (mL)	Total weight (mg)	n-octanol phase		Water phase
				Analysed concentration (mg/L)	Total weight (mg)	Analysed concentration (mg/L)	Total weight (mg)	pH
1	20	120	46.9	2.32 x 10³	46.4	0.429	5.15 x 10^-2	6.6
2	20	120	46.9	2.13 x 10³	42.7	0.409	4.91 x 10^-2	6.5
3	40	120	93.8	2.31 x 10³	92.4	0.445	5.34x 10^-2	6.6
4	40	120	93.8	2.42 x 10³	97.0	0.415	4.98 x 10^-2	6.7
5	80	120	188	1.99 x 10³	159	0.415	4.98 x 10^-2	6.6
6	80	120	188	2.18 x 10³	174	0.420	5.04 x 10^-2	6.7

Temperature = 23.0 ± 0.5 °C.

pH of n-octanol saturated water = 6.6

 

Calculations

Sample number	n-octanol/water volume ratio	Partition coefficient	Log10Pow	Mean partition coefficient
1 2	1:6	5.41 x 10³ 5.22 x 10³	3.73 3.72	5.31 x 10³
3 4	1:3	5.19 x 10³ 5.84 x 10³	3.72 3.77	5.52 x 10³
5 6	2:3	4.79 x 10³ 5.19 x 10³	3.68 3.72	4.99 x 10³

Mean = 5.27 x 10³          Log₁₀Pow = 3.72        Standard deviation = 345

Comment:

The peak height of each standard associated with a particular sample was corrected to nominal concentration and the mean value taken prior to the calculation of the sample concentration.

Although the test material is prone to hydrolysis, it was evident from the sample chromatography that no hydrolysis of the sample solutions had occurred during the partition coefficient study.

Conclusions:

According to Council Directive 92/69/EEC A.8, the log Pow of the test item is 3.72 using the flask method.
The calculated log Pow of the test item is 3.69 (KOWWIN, vers. 1.68).

Description of key information

The log Pow of the test substance is 3.72.

Key value for chemical safety assessment

Log Kow (Log Pow):

3.72

at the temperature of:

23 °C

Additional information

The n-octanol/water partition coefficient was determined according to Council Directive 92/69/EEC A.8, flask method. The study was performed in compliance with GLP.