3,20-bis(ethylenedioxy)pregna-5,7-diene

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

18/12/2012 - 12/3/2013

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study conducted following OECD/EU guideline and in accordance with GLP. Study material is well characterized.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

3,20-bis(ethylenedioxy)pregna-5,7-diene

EC Number:

243-175-0

EC Name:

3,20-bis(ethylenedioxy)pregna-5,7-diene

Cas Number:

19592-55-3

Molecular formula:

C25H36O4

IUPAC Name:

(1S,3aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,3a,6,8,9,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolane]

Test material form:

solid: crystalline

Details on test material:

Name of test material (as cited in study report): Proketal; pregna-5,7-diene-3,20-dione, cyclic 3,20-bis(1,2-ethanediyl acetal)
- Substance type: Intermediate
- Physical state: Powder

Results and discussion

Water solubility

Water solubility:

< 0.08 mg/L

Temp.:

20 °C

pH:

> 8.2 - < 8.3

Details on results:

The results for the samples taken at a flow rate of 12 and 24 mL/h are given in the below table.

The coefficient of variation (CV) (n = 10) was ≤ 30% at both flow rates. It demonstrated that the system was equilibrated at all flow rates.

The maximum difference (MD) on the mean values of the samples at both flow rates was also ≤ 30%. Based on this, the water solubility of the test substance is given as the mean value of these measurements.

The turbidity of the eluates was < 0.2 NTU. According to this, no undissolved particles were detected in the eluates.

No test substance was detected in the samples from the blank column.

Any other information on results incl. tables

Main study - Water solubility of the test substance:

Flow rate[mL/h]	Sampleno.	Individual[mg/L]	Mean 1[mg/L]	CV[%]	Mean 2[mg/L]	MD[%]	pH
24	1	1.46 ^3	<0.0799	N.A.	<0.0799	N.A.	8.2
	2	<0.0799 ^4
	3	<0.0799 ^4
	3	<0.0799 ^4
	4	<0.0799 ^4
	5	<0.0799 ^4
	6	<0.0799 ^4
	7	<0.0799 ^4
	8	<0.0799 ^4
	9	<0.0799 ^4
	10	<0.0799 ^4
12	1	0.127 ^3	<0.0799	N.A.			8.3
	2	<0.0799 ^4
	3	<0.0799 ^4
	4	<0.0799 ^4
	5	<0.0799 ^4
	6	<0.0799 ^4
	7	<0.0799 ^4
	8	<0.0799 ^4
	9	<0.0799 ^4
	10	<0.0799 ^4
	11	<0.0799 ^4
	12	<0.0799 ^4

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
The column elution method was applied for the determination of the water solubility of Proketal.
The water solubility of the test substance at 20°C was <0.0799 mg/L.
The pH of the aqueous samples was 8.2 – 8.3.