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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 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:
(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.