(5´R,8´S,10´R,13´S,14´S)-13´-methyl-1´,2´,6´,7´8´,12´,13´,14´,15´,16´-decahydro-17´H-spiro[1,3-dioxolane-2,3´-[5,10]epoxycyclopenta[a]phenantren]-17´-one

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

no

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

(5´R,8´S,10´R,13´S,14´S)-13´-methyl-1´,2´,6´,7´8´,12´,13´,14´,15´,16´-decahydro-17´H-spiro[1,3-dioxolane-2,3´-[5,10]epoxycyclopenta[a]phenantren]-17´-one

EC Number:

821-898-8

Cas Number:

39931-87-8

Molecular formula:

C20H26O4

IUPAC Name:

(5´R,8´S,10´R,13´S,14´S)-13´-methyl-1´,2´,6´,7´8´,12´,13´,14´,15´,16´-decahydro-17´H-spiro[1,3-dioxolane-2,3´-[5,10]epoxycyclopenta[a]phenantren]-17´-one

Test material form:

solid: particulate/powder

Results and discussion

Water solubility

Water solubility:

>= 0.193 - <= 0.193 g/L

Conc. based on:

test mat.

Incubation duration:

>= 24 - <= 72 h

Temp.:

22 °C

pH:

>= 7.4 - <= 7.74

Details on results:

Preliminary test:
In the preliminary test 0.10051 g test item was dissolved in 250, 500 and 1000 ml deionised water. After each step the suspension was shaken intensively for a few minutes and the clearness was checked. The test item was not diluted completely in the two lowest volume (250 and 500 ml), but the dilution in 1000 ml water resulted a clean solution.
According to OECD 105 Guideline, the estimated solubility was 0.1 – 0.2 g/L.
Definitive test - Flask method:
On the base of result of preliminary test the solubility of test item was determined with flask method. The applied concentration in the definitive test was 1.2 g/L. Test solutions of the chosen incubation periods were prepared in two replicates. According to previous results the Ketoketal-epoxide is very unstable in deionized water so the test could not be carried out using cleaned water. The test was prepared in OECD and Elendt M4 media in which the test item was stable.
The test was prepared at room temperature. The prepared suspensions were kept at room temperature and were stirred continuously.
The vessels were incubated for 24, 48 or 72h. After incubation the suspension were filtered through a 0.2 μm WhatmanTM ME24 Filter. The first 50 ml filtrate was disposed. From the remaining filtrate the concentration of test item was determined by UHPLC method. The pH of the filtrates was determined.
The average water solubility of Ketoketal-epoxide in OECD medium is 0.19337 g/l.
The standard deviation for the daily means is 0.00383 g/L.
Coefficient of variation for the daily means is 1.981%