(1R)-1-[(4R,4aR,8aS)-2,6-bis(3,4-dimethylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

27 November 1992 to 1st October 1993

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1993

Report date:

1993

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

3.37

Temp.:

22 °C

pH:

ca. 7

Details on results:

Evaluation of the linearity of the method was performed over the range 0.5 - 5 mg/l (0.5, 1, 2, 2.5, 5 mg/l) for the n-octanol phase. 0.5 mg/l was established as the limit of quantitation for the n-octanol phase.
Evaluation of the linearity of the method was performed over the range 0.0005 - 0.005 mg/l (0.0005, 0.001, 0.002, 0.0025, 0.005 mg/l). Due to the low water solubility of the test article (0.0476 mg/l at 22 °C), the calibration curve and the results of the sample assays obtained for the water phase, were given with a poor accuracy. The limit of quantitation in the water phase was established at 0.0005 mg/l.

Any other information on results incl. tables

Determination of the Partition Coefficient

 

Sample	Sample	Volume water (ml)	Volume n-octanol (ml)	Volume stock solution (ml)	Conc. water phase (mg/ml)	pH water phase	Conc. n-octanol phase (mg/ml)	Partition coefficient	Mean	Mean
1	A	10	38	2	7.548x10^-4	7.57	0.948	Pow= 1.256x10^3 Log Pow= 3.10	3.09	3.37
	B	10	38	2	7.421x10^-4	5.62	0.862	Pow= 1.162x10^3 Log Pow= 3.07
2	A	30	18	2	10^-3	7.16	1.947	Pow= 1.947x10^3 Log Pow= 3.29	3.37
	B	30	18	2	5.876x10^-4	6.25	1.650	Pow= 2.808x10^3 Log Pow= 3.45
3	A	40	8	2	10^-3	7.78	3.831	Pow= 3.831x10^3 Log Pow= 3.58	3.66
	B	40	8	2	7.369x10^-4	6.44	3.934	Pow= 5.339x10^3 Log Pow= 3.73

Applicant's summary and conclusion

Conclusions:

Under the experimental conditions described, the partition coefficient of the test article was determined to be:
log Pow = 3.37

Executive summary:

In a general partition coefficient study (66592), the partition coefficient was determined to be log P_ow = 3.37, according to Method A8 of Commission Directive 92/69/EEC.