(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

11 December 2017 - 01 February 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

(1R,3aS,3bR,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

EC Number:

608-630-3

Cas Number:

31528-46-8

Molecular formula:

C20H24O2

IUPAC Name:

(1R,3aS,3bR,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

Test material form:

solid: particulate/powder

Details on test material:

Appearance: Off-white powder
Test item storage: At room temperature

Results and discussion

Water solubility

Key result

Water solubility:

1.65 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

7.8

Remarks on result:

other: average of two flow rates

Details on results:

Mean concentration in the water samples (n=10) obtained at the flowrate of 24 mL/h was 1.68 mg/L. CV = 1.4%.
Mean concentration in the water samples (n=10) obtained at the flowrate of 12 mL/h was 1.63 mg/L. CV = 2.2%.
The maximum difference on the mean values at both flow rates was ≤ 30% (i.e. 2.9%). Average of two flow rates: 1.65 mg/L.

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

Any other information on results incl. tables

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.

Applicant's summary and conclusion

Conclusions:

The water solubility of the substance at 20°C was determined to be 1.65 mg/L.

Executive summary:

The water solubility of the substance was determined using the column elution method in a GLP study according to EC A.6, OECD 105 and OPPTS 830.7840.

Quantification was performed by UPLC-MS/MS. The water solubility of the substance at 20°C was determined to be 1.65 mg/L (average of two two flow rates - 24 mL/h and 12 mL/h).

The coefficient of variation (CV) (n=10) was ≤ 30% at both flow rates.

The maximum difference on the mean values at both flow rates was ≤ 30%.

The pH of the aqueous samples was 7.8.