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Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
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 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17,-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2´-[1,3]dioxolan]-17-ol
EC Number:
610-527-3
Cas Number:
50407-76-6
Molecular formula:
C23H32O3
IUPAC Name:
(8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17,-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2´-[1,3]dioxolan]-17-ol

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.8
Temp.:
25 °C
pH:
5
Details on results:
Dead-time measured by Thiourea was 0.867 minutes.
In order to correlate the calculated capacity factor k of test item with its logPow, a calibration graph using six reference substances were used.
The value of partition coefficient of Ethisterone-ketal (CAS No. 50407-76-6) was determined by Microsoft Office Excel 2013. The following value was calculated: logPow= 3.8

Applicant's summary and conclusion

Conclusions:
The calculated mean logPow of Ethisterone-ketal: 3.8