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EC number: 303-085-5 | CAS number: 94158-14-2
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 003
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- 2-(1,3-benzodioxol-5-ylamino)ethanol hydrochloride
- EC Number:
- 303-085-5
- EC Name:
- 2-(1,3-benzodioxol-5-ylamino)ethanol hydrochloride
- Cas Number:
- 94158-14-2
- Molecular formula:
- C9H11NO3.ClH
- IUPAC Name:
- 2-(1,3-benzodioxol-5-ylamino)ethanol hydrochloride
- Test material form:
- solid: crystalline
Constituent 1
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
Results and discussion
- Transformation products:
- not specified
- Remarks:
- degradation products were not investigated
Dissipation DT50 of parent compoundopen allclose all
- Key result
- pH:
- 5
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 205 h
- Key result
- pH:
- 5
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 94 h
- Key result
- pH:
- 7
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 472 h
- Key result
- pH:
- 7
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 491 h
- Key result
- pH:
- 9
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 2 594 h
- Key result
- pH:
- 9
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 1 266 h
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- For pH 5, 7 and 9 at 50 °C (preliminary test} and at 20 and 30 °C (definitive study}, respectively degradation has been observed and the active ingredient was considered to be hydrolytically unstable. Reaction rate constants and half life times of the definitive study are given in table 17.
Tab. 16: Degradation in [%}] of the Active lngredient of Aminol at 50 oc after 96 h (Preliminary Test)
pH 5 pH 7 pH 9
Degradation [%] 87 36 20
Tab. 17: Reaction Rate Constants and Half Lifes for the Active lngredient of Aminol of the Definitive Study
pH 5 pH 7 pH 9
20 °C 30 °C 20 °C 30 °C 20 °C 30 °C
Reaction rate constant kobs [1/s] 9.40*10-7 2.05*10-6 4.08*10-7 3.92*10-7 7.42*10-8 1.52*10-7
Half-life T1/2 [h] 205 94 472 491 2594 1266
Half-life T1/2 [d] 8.5 3.9 19.7 20.5 108.1 52.8 - Executive summary:
Hydrolysis as a function of pH was determined according to OECD-Guideline 111 for Testing of Chemicals (1981) for the test item AMINOL (batch number: R0075037) from 2003-07-14 to 2003-09-12 at DR.U.NOACK-LABORATORIUM FüR ANGEWANDTE BIOLOGIE, Sarstedt, Germany. The study was conducted with a test item concentration of 100 mg/L in buffer solutions of pH 5, 7 and 9 at temperatures of 50 °C (preliminary study) and 20 and 30 °C (definitive study)
, respectively. Samples were taken at test start and test end for the preliminary study and at test start and at minimum 9 spaced points for the definitive study, respectively. Buffer solutions were analysed at test start and test end and there was no interference with the test item. Analyses of the active ingredient 2-(1 ,3-benzodioxol-5-ylamino)ethanolhydrochlorid were performed via HPLC on a C18 column with UV- detection. The active ingredient was found to undergo hydrolysis at pH 5, 7 and 9 at the tested temperatures 20, 30 and 50 °C. respectively (Tab. 1 and 2). Reaction rate constants and half lives of the definitive study are given in Tab. 2. All samples have been analysed directly for degradation products via HPLC and UV-detection at 246 nm. Degradation products were found with significant intensity in samples of pH 7 at 20 °C (after 676.42 h) and 30 oc (after 501.50 and 676.83 h), respectively. Type and structure of the degradation products were not investigated. lt is possible that former formation of degradation products were not recorded by the analytical method. For details please refer to part 4.
Tab. 1: Degradation in [%}] of the Active lngredient of Aminol at 50 oc after 96 h (Preliminary Test)
pH 5 pH 7 pH 9
Degradation [%] 87 36 20
Tab. 2: Reaction Rate Constants and Half Lifes for the Active lngredient of Aminol of the Definitive Study
pH 5 pH 7 pH 9
20 °C 30 °C 20 °C 30 °C 20 °C 30 °C
Reaction rate constant kobs [1/s] 9.40*10-7 2.05*10-6 4.08*10-7 3.92*10-7 7.42*10-8 1.52*10-7
Half-life T1/2 [h] 205 94 472 491 2594 1266
Half-life T1/2 [d] 8.5 3.9 19.7 20.5 108.1 52.8
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