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Registration Dossier
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EC number: 610-840-5 | CAS number: 52449-76-0
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP study according to EU / OECD guideline.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 006
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 (incl. QA statement)
Test material
- Reference substance name:
- methyl 4-cyano-2-nitrobenzoate
- EC Number:
- 610-840-5
- Cas Number:
- 52449-76-0
- Molecular formula:
- C9H6N2O4
- IUPAC Name:
- methyl 4-cyano-2-nitrobenzoate
Constituent 1
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on test conditions:
- The rate of degradation was estimated in preliminary tests at three different pH-values (4, 7, and 9).
The main test for pH7 was performed at two temperatures (50°C and 35°C).
Duration of testopen allclose all
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 31.31 mg/L
- Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 67.69 mg/L
- Duration:
- 2.4 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 34.05 mg/L
- Duration:
- 53 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 84.39 mg/L
- Duration:
- 162 h
- pH:
- 7
- Temp.:
- 35 °C
- Initial conc. measured:
- 83.03 mg/L
- Positive controls:
- no
- Negative controls:
- no
Results and discussion
- Preliminary study:
- The rate of degradation was estimated in preliminary tests at three different pH-values (4, 7, and 9). At pH4 the test item was stable, because less
than 10% had hydrolyzed after 5 days at 50°C. This corresponds to a half-life time of more than one year at normal environmental conditions. Therefore no further testing at these pH-values had to be performed.
At pH9 the hydrolysis was more than 50 % after 2.4 hours. This corresponds to a half-life time below 1 day at normal environmental conditions.
Therefore no more testing at this pH was necessary.
At pH7 further tests according to the corresponding guideline had to be performed, because the test item had hydrolyzed less than 50 % after
2.4 hours but more than 10 % after five days at 50°C. - Test performance:
- The main test for pH7 was performed at two temperatures (50°C and 35°C).
- Transformation products:
- not specified
Total recovery of test substance (in %)open allclose all
- % Recovery:
- 70
- pH:
- 7
- Temp.:
- 35 °C
- Duration:
- 116 h
- % Recovery:
- 66.2
- pH:
- 7
- Temp.:
- 35 °C
- Duration:
- 140 h
- % Recovery:
- 61.2
- pH:
- 7
- Temp.:
- 35 °C
- Duration:
- 162 h
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 1.776 h-1
- DT50:
- 39.03 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 35 °C
- Hydrolysis rate constant:
- 3.008 h-1
- DT50:
- 230.4 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 8.341 h-1
- DT50:
- 831 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: extrapolated from the regressed data from the testing at 50°C and 35°C
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- < 1 d
- Type:
- (pseudo-)first order (= half-life)
- Details on results:
- The test item was absolutely stable in the acidic pH-range. After a period of 5 d at pH4 and 50°C the degree of hydrolysis was nearly zero.
The half-life time and the rate constant of the test item at pH7 and 25°C was extrapolated from the regressed data from the testing at 50°C and 35°C.The half-life time at 25°C and pH7 was 831.0 hours (approx. 35 days).
The test item was non-stable in the basic pH-range. After 2.4 hours at pH9 more than 90% of the test item were hydrolyzed.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- Summing up it can be said, that the hydrolysis of the test item was base catalyzed.
• The test item was absolutely stable in the acidic pH-range. After a period of 5 d at pH4 and 50°C the degree of hydrolysis was nearly zero.
• The half-life time and the rate constant of the test item at pH7 and 25°C was extrapolated from the regressed data from the testing at 50°C and
35°C. The half-life time at 25°C and pH7 was 831.0 hours (approx. 35 days).
• The test item was non-stable in the basic pH-range After 2.4 hours at pH9 more than 90 % of the test item were hydrolyzed.
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