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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
17 september 2018 - 08 November 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

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
2016
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
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

Constituent 1
Chemical structure
Reference substance name:
[(8R,9S,10R,13S,14S,17R)-3-ethoxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
EC Number:
610-565-0
Cas Number:
50717-99-2
Molecular formula:
C24H32O3
IUPAC Name:
[(8R,9S,10R,13S,14S,17R)-3-ethoxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Test material form:
solid: particulate/powder
Details on test material:
Physical appearance: off-white powder
Storage conditions: at room temperature

Results and discussion

Water solubility
Key result
Water solubility:
0.001 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
>= 7.4 - <= 7.6
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 0.00036 mg/L. CV = 19%.
Mean concentration in the water samples (n=10) obtained at the flowrate of 12 mL/h was 0.00058 mg/L. CV = 16%.
Mean concentration in the water samples (n=10) obtained at the flowrate of 6 mL/h was 0.00052 mg/L. CV = 23%.
The maximum difference on the mean values at flow rates 24 and 12 mL/h was > 30% (i.e. 47%). The maximum difference on the mean values at flow rates 12 and 6 mL/h was ≤ 30% (i.e. 11%). Therefore the water solubility of the test item is based on the results of the 12 and 6 mL/h samples and is reported as 0.00055 mg/L.

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 item 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 0.00055 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 0.00055 mg/L (average of two flow rates: 12 mL/h and 6 mL/h).

The coefficient of variation (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 7.6 and 7.4.