Registration Dossier
Registration Dossier
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EC number: 927-431-5 | CAS number: 1178896-82-6
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Study period:
- 2002-09-17 to 2002-11-14
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- GLP compliance:
- yes
Test material
- Reference substance name:
- (9aR,11aS)-9a,11a-dimethyl-1-oxo-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
- EC Number:
- 927-431-5
- Cas Number:
- 1178896-82-6
- Molecular formula:
- C26 H38 O4
- IUPAC Name:
- (9aR,11aS)-9a,11a-dimethyl-1-oxo-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
Constituent 1
Study design
- Analytical monitoring:
- yes
Duration of testopen allclose all
- Duration:
- 3.2 h
- pH:
- 4
- Temp.:
- 25 °C
- Initial conc. measured:
- 0.09 mg/L
- Duration:
- 4.2 h
- pH:
- 4
- Temp.:
- 25 °C
- Initial conc. measured:
- 0.099 mg/L
- Duration:
- 120.7 h
- pH:
- 7
- Temp.:
- 25 °C
- Initial conc. measured:
- 0.072 mg/L
- Duration:
- 286 h
- pH:
- 7
- Temp.:
- 25 °C
- Initial conc. measured:
- 0.054 mg/L
- Duration:
- 151.2 h
- pH:
- 9
- Temp.:
- 25 °C
- Initial conc. measured:
- 0.068 mg/L
- Duration:
- 117.3 h
- pH:
- 9
- Temp.:
- 25 °C
- Initial conc. measured:
- 0.071 mg/L
Results and discussion
- Transformation products:
- not measured
Any other information on results incl. tables
Two functional groups in ZK 67985 give rise to two different hydrolysis reactions: the ketal group is cleaved at acidic to neutral pH values and the ester is hydrolyzed at alkaline pH values. The product at acidic to neutral pH values is the free ketone 3-Acetoxyandrost-3,5-diene-17-one, ZK 67986. The product can be identified by a peak at 2.5 min in the HPLC diagrams of the hydrolysis solutions at pH 4 increasing with hydrolysis time.
At alkaline pH values the free alcohol 17,17-(2,2-dimethyltrimethylenedioxy)-androst-3,5-diene is the hydrolysis product. Due to the low UV absorbance of the hydrolysis product at the detection wavelength 240 nm it could not be identified in the hydrolysis solutions.
Applicant's summary and conclusion
- Executive summary:
The rate of hydrolysis of ZK 67985 was determined at pH 4, 7 and 9. The rate constants and half-lives at 25 °C are:
pH k [1/h] 95 % confidence intervals for k [1/h] half-life 95 % confidence intervals for half-life 4 0.7091 0.6724 to 0.7458 1.0 h 0.9 to 1.0 h 7 5.997 E-03
3.992 E-03 to 8.003 E-03
4.8 d
3.6 to 7.2 d
9
7.862 E-03
7.158 E-03 to 8.567 E-03
3.7 d
3.4 to 4.0 d
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