Reaction mass of (3aR,5aS,9aS,9bR)-3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-b]furan and (3aS,5aR,9aR,9bS)-3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-b]furan

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2012-10-30 to 2012-11-17

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to an internationally recognised method, and under GLP. No deviation was reported. The substance is considered to be adequately characterised with its purity. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Inspected on 10July 2012 / Signed on 30 November 2012

Type of method:

slow-stirring method

Partition coefficient type:

octanol-water

Analytical method:

gas chromatography

Key result

Type:

log Pow

Partition coefficient:

5.09

Temp.:

25 °C

pH:

>= 6.4 - <= 7.3

Details on results:

The linearity of the detector response with respect to concentration was assessed over the nominal concentration ranges of 10 to 100 mg/L and 0.2 to 10 mg /L (n = 8 and n = 6 respectively). These were satisfactory with both having a correlation coefficient of 1.000 being obtained.

Recovery of analysis of the sample procedure was assessed and proved adequate for the test.
At a nominal test item concentration of 0.5 mg/L, a mean percentage recovery of 120 % was obtained (range 117 to 123 %). Aqueous sample concentrations have been corrected for recovery of analysis.

The mean stock solution concentration on analysis was 2.00 x 10E4 mg/L.
The mass balance based on the average of the 12 samples results used for the overall result gave a value of 98.5 % of the stock solution as weighed in.

Between 91 and 192 hours, 8 samples were collected for each phase in vessel 1. Four samples were collected for each phase in vessels 2 and 3 between 162 and 192 hours.

Individual results are available in the experimental reports.

Equilibrium was evident from at least 91 hours stirring. Taking the last four sets of analytical data for each vessel, the slope of the correlation was tested statistically to ensure it did not differ significantly from zero. This was performed using the t test and a probability value of P = 0.05 (critical value = 4.30 for 2 degrees of freedom).

As equilibrium was confirmed, the mean log₁₀ partition coefficient value, the standard deviation and variance was calculated for each vessel, taking the last four sets of analytical data for each vessel. This then allowed the final weighted average and standard deviation to be calculated as the definitive result for the test. The results are shown in the following table:

	Vessel 1	Vessel 2	Vessel 3
Mean Log10Pow	5.09	5.09	5.08
Standard Deviation	1.10 x 10^-2	1.94 x 10^-2	1.38 x 10^-2
Variance	1.20 x 10^-4	3.77 x 10^-4	1.90 x 10^-4

 

Weighted average Log₁₀P_ow:                       5.09

Variance weighted standard deviation:       3.71 x 10^-3

Conclusions:

The substance has potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow >4).

Executive summary:

The partition coefficient of the test substance was measured under GLP according OECD 123 guideline, slow-stirring method.

Three vessels were prepared, and four samples were taken in each phase after equilibration at 25°C, between 162 and 192 hours. The overall average was calculated weighted for the variance.

Log Kow = 5.09 at 25°C.

Description of key information

The substance has potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow >4).

Key value for chemical safety assessment

Log Kow (Log Pow):

5.09

at the temperature of:

25 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD method and under GLP, is available. Therefore, it is considered as a key study, and the result is retained as key value for purpose of CSA.