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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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.