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EC number: 216-407-3 | CAS number: 1576-35-8
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- September-November 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- GLP-study carried according to guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- Adopted 13th April, 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Buffers:
- The sterilized buffer solutions of different pH values (pH 4.00, 7.00 and 9.00) were prepared from the annex (Buffer mixtures of Clark and Lubs) of the OECD test guideline. This buffer solutions were aerated to free from nitrogen for 5 minutes before preparation of the test solution. The pH of each buffer solution was check with a calibrated pH-meter before exposure test substance.
- Details on test conditions:
- Group description
(1) Tier 1
Test concentration : 0.01 M (1,875.995 mg/L) for pH 4.00, 7.00, 9.00
Replicate : Duplicate per test sample (pH 4.00, 7.00 and 9.00)
Temperature : 50.0±0.5oC
Test duration : 5 days
Test solution : 200 mL per replicate
(2) Tier 2 and Tier 3
Test concentration : 0.01 M (1,875.995 mg/L) for pH 4.00, 7.00, 9.00
Replicate : Duplicate per test sample (pH 4.00, 7.00 and 9.00)
Temperature : 20.0±0.5 oC, 50.0±0.5 oC, 60.0±0.5 oC
Test duration : 90 % hydrolysis or 30 days (performed until whichever comes first)
Test solution : 200 mL per replicate
2) Exposure method
(1) All glassware, reagent-grade water and buffer solutions used in the test were sterilized. A series of procedures related to the test were performed on clean bench to avoid the biodegradation.
(2) A dark glass container was used to prevent photolytic effect during the test period, a water bath was covered with a cover to avoid the light.
3) Sterility confirmation test
Sterility confirmation test was performed to confirm that the test solution for each concentration was aseptic. But, if no degradation (<10 %) was observed, the sterility test was not performed. - Duration:
- 30 d
- pH:
- 4
- Temp.:
- 20 °C
- Initial conc. measured:
- 0.01 mol/L
- Remarks:
- Test duration either 30 days or until 90% hydrolyis obtained
- Duration:
- 30 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 0.01 mol/L
- Remarks:
- Duration 30 days or until 90% hydrolysis obtained
- Duration:
- 30 d
- pH:
- 4
- Temp.:
- 60 °C
- Initial conc. measured:
- 0.01 mol/L
- Remarks:
- Duration 30 days or until 90% hydrolysis obtained
- Duration:
- 30 d
- pH:
- 7
- Temp.:
- 20 °C
- Initial conc. measured:
- 0.01 mol/L
- Remarks:
- Duration 30 days or until 90% hydrolysis obtained
- Duration:
- 30 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 0.01 mol/L
- Remarks:
- Duration 30 days or until 90% hydrolysis obtained
- Duration:
- 30 d
- pH:
- 7
- Temp.:
- 60 °C
- Initial conc. measured:
- 0.01 mol/L
- Remarks:
- Duration 30 days or until 90% hydrolysis obtained
- Duration:
- 30 d
- pH:
- 9
- Temp.:
- 20 °C
- Initial conc. measured:
- 0.01 mol/L
- Remarks:
- Duration 30 days or until 90% hydrolysis obtained
- Duration:
- 30 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 0.01 mol/L
- Remarks:
- Duration 30 days or until 90% hydrolysis obtained
- Duration:
- 30 d
- pH:
- 9
- Temp.:
- 60 °C
- Initial conc. measured:
- 0.01 mol/L
- Remarks:
- Duration 30 days or until 90% hydrolysis obtained
- Number of replicates:
- 2
- Positive controls:
- no
- Negative controls:
- yes
- Statistical methods:
- No information
- Transformation products:
- yes
- No.:
- #1
- No.:
- #2
- Details on hydrolysis and appearance of transformation product(s):
- Hydrazine was actually not detected, but on the basis of read-across to OBSH (80-51-3) and due to chemical structure considerations, it is obvious that hydrazine is also formed.
- pH:
- 4
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.005 h-1
- DT50:
- 138.63 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Confidence interval: 0.005-0.006
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.019 h-1
- DT50:
- 36.48 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Confidence interval: 0.018-0.020
- pH:
- 4
- Temp.:
- 60 °C
- Hydrolysis rate constant:
- 0.056 h-1
- DT50:
- 12.38 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Confidence interval: 0.049-0.063
- Key result
- pH:
- 7
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.018 h-1
- DT50:
- 38.51 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Confidence interval: 0.015-0.021
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.368 h-1
- DT50:
- 1.88 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Confidence interval: 0.321-0.416
- pH:
- 7
- Temp.:
- 60 °C
- Hydrolysis rate constant:
- 0.824 h-1
- DT50:
- 0.84 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Confidence interval: 0.653-0.995
- pH:
- 9
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.017 h-1
- DT50:
- 40.77 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Confidence interval: 0.016-0.019
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.384 h-1
- DT50:
- 1.81 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Confidence interval: 0.310-0.458
- pH:
- 9
- Temp.:
- 60 °C
- Hydrolysis rate constant:
- 0.854 h-1
- DT50:
- 0.81 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: Confidence interval: 0.751-0.958
- Validity criteria fulfilled:
- yes
- Conclusions:
- The below give the measured 1. order hydrolysis rate constant (krate) and 1. order hydrolysis halflife (DT50) at various pHs and temperatures.
pH T (°C) krate (hr-1) DT50 (hr)
4 20 0.005 [0.005-0.006] 139
7 20 0.018 [0.015-0.021] 39
9 20 0.017 [0.016-0.019] 41
4 50 0.019 [0.018-0.020] 36
7 50 0.368 [0.321-0.416] 1.9
9 50 0.384 [0.310-0.458] 1.8
4 60 0.056 [0.049-0.063] 12
7 60 0.824 [0.653-0.995] 0.84
9 60 0.854 [0.751-0.958] 0.81 - Executive summary:
The study was performed to assess abiotic hydrolytic transformations of the CELLCOM-H in the aquatic environment at pH 4∼9 and temperatures 20oC, 50oC, 60oC according to OECD 111. The hydrolysis rate constants and the half-life according to the exposure conditions was as follows.
pH T (°C ) krate (hr-1) DT50 (hr) 4 20 0.005 [0.005-0.006] 139 7 20 0.018 [0.015-0.021] 39 9 20 0.017 [0.016-0.019] 41 4 50 0.019 [0.018-0.020] 36 7 50 0.368 [0.321-0.416] 1.9 9 50 0.384 [0.310-0.458] 1.8 4 60 0.056 [0.049-0.063] 12 7 60 0.824 [0.653-0.995] 0.84 9 60 0.854 [0.751-0.958] 0.81
Reference
Description of key information
The hydrolysis of TSH was tested according to OECD Guideline no. 111 at three temperatures (20 °C, 50 °C, 60 °C) and 3 pHs (4, 7, 9).
The results are given in below table, where krate is the overall 1. order rate constant.
| pH | T (°C ) | krate (hr-1) | DT50 (hr) |
| 4 | 20 | 0.005 [0.005-0.006] | 139 |
| 7 | 20 | 0.018 [0.015-0.021] | 39 |
| 9 | 20 | 0.017 [0.016-0.019] | 41 |
| 4 | 50 | 0.019 [0.018-0.020] | 36 |
| 7 | 50 | 0.368 [0.321-0.416] | 1.9 |
| 9 | 50 | 0.384 [0.310-0.458] | 1.8 |
| 4 | 60 | 0.056 [0.049-0.063] | 12 |
| 7 | 60 | 0.824 [0.653-0.995] | 0.84 |
| 9 | 60 | 0.854 [0.751-0.958] | 0.81 |
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 38.51 h
- at the temperature of:
- 20 °C
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