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EC number: 700-580-1 | CAS number: -
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: Guideline study with GLP.
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Version / remarks:
- (Directive 92/69/EEC)
- Deviations:
- no
- GLP compliance:
- yes
Test material
- Reference substance name:
- 3-[(2-aminoethyl)amino]propane-1-sulfonic acid
- Cas Number:
- 14235-54-2
- Molecular formula:
- C5H14N2O3S
- IUPAC Name:
- 3-[(2-aminoethyl)amino]propane-1-sulfonic acid
- Details on test material:
- - Physical state: solid
- Analytical purity: approx. 95 %
- Impurities (identity and concentrations): water approx 5%
- Lot/batch No.: 06060423/101
- Stability under test conditions: stable
- Storage condition of test material: room temperature in the dark
Constituent 1
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
- Water solubility:
The water solubility of "3-[(2-aminoethyl)ammonio]propane-1-sulfonate" was estimated to: >91 % (w/w) at 21 °C. The concentration is equivalent to >1000 g/L. The test substance is miscible at any concentration with water.
See Section 4.8. "Key. ARC-L-3110. Water solubility".
- pKa (Calculation by the software PALLAS pKa Prediction Module 5.1, version 3.4.1.3. ):
The calculated pKa's of the test substance are -1.9 (acidic group) and 7.6, 10.4 (basic groups).
See Section 4.7. "Key. ARC-L-3111. Partition Coefficient". - Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- Sampling intervals/times for pH measurements:
Temperatures (calibrated glass/mercury thermometer No. 249) and pH (pH-meter InoLab pH Level 2, WTW, Germany) were
recorded at each analysis.
Sampling intervals/times for sterility check:
The determination of the sterility was not necessary because the test substance is stable to hydrolysis at each pH-value tested
Sample storage conditions before analysis:
Portions of the solutions were taken from the flasks, diluted with water and the concentration of the test substance was analysed by HPLC immidiatelly after derivatisation. - Buffers:
- Buffer solutions
Buffer pH 4:
250 mL 0.1 mol/L potassium dihydrogen citrate and 45 mL 0.1 mol/L sodium hydroxide filled up to 500 mL with water.
Buffer pH 7:
250 mL 0.1 mol/L potassium dihydrogenphosphate and 148.2 mL 0.1 mol/L sodium hydroxide filled up to 500 mL with water.
Buffer pH 9:
250 mL 0.1 mol/l boric acid in 0.1 mol/L potassium chloride and 106.5 mL 0.1 mol/L sodium hydroxide filled up to 500 mL with water.
The water (for analysis; Merck; Lot. No. HC805974) was autoclaved before use.
The actual pH for the buffers are shown in the following Table:
target pH actual pH in the preliminary test
4 4.01
7 6.99
9 9.00
To eliminate possible interactions of the test substance with the buffer compounds the used buffers were diluted resulting in
concentrationsof approximately 0.025 mol/L. - Details on test conditions:
- In the preliminary test, solutions of <50 % saturation respectively <0.01 mol/L (<1.8 g/L) of the test substance in buffers with pH
values of 4,7 and 9 were kept at 50 °C and the concentration of "3-[(2-aminoethyl)ammonio]propane-1-sulfonate" was determined
after various times up to a maximum of 5 days.
pH 4, pH7 and pH 9
A stock solution of the test substance was prepared by weighing 265.1 mg of the test substance in 250 mL autoclaved water.
Approximately 50 mL of the stock solution was filled up to 100 mL with the appropriate buffer each. Afterwards nitrogen was
bubbled through the solutions to exclude oxygen. The concentration of the resulting solutions were lower than 50 % saturation
respectively <0.01 mol/L.
The solutions were kept in a water bath (DL 30 V26 TOX1, accuracy: 0.01 °C; Haake, Karlsruhe, Germany) respectively in a
peltier-cooled incubator (IPP200, Memmert, Germany) at the test temperature in the dark.
Temperatures (calibrated glass/mercury thermometer No. 249) and pH (pH-meter InoLab pH Level 2, WTW, Germany) were
recorded at each analysis.
Main test
Due to the results of the preliminary tests, no main tests were performed in agreement with the guideline.
Duration of testopen allclose all
- Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 0.479 g/L
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 0.523 g/L
- Duration:
- 5 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 0.571 g/L
- Number of replicates:
- One for each pH
- Positive controls:
- no
- Negative controls:
- no
Results and discussion
- Preliminary study:
- Less than 10 % of the test substance hydrolysed within 5 days at 50 °C, at each of the three pH-values tested.
According to the Directive it is estimated that the half-life of "3-[(2-aminoethyl)ammonio]propane-1-sulfonate" in aqueous solution at 25 °C is greater than one year for each pH value .
"3-[(2-aminoethyl)ammonio]propane-1-sulfonate" is stable to hydrolysis at pH 4, pH 7 and pH 9 and no main tests were performed. - Transformation products:
- no
Total recovery of test substance (in %)open allclose all
- % Recovery:
- 90.4
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 0 h
- % Recovery:
- 98.7
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 0 h
- % Recovery:
- 107.7
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 0 h
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- h-1
- DT50:
- > 1 600 h
- Type:
- not specified
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- h-1
- DT50:
- > 8 800 h
- Type:
- not specified
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- h-1
- DT50:
- > 1 600 h
- Type:
- not specified
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- h-1
- DT50:
- > 8 800 h
- Type:
- not specified
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- h-1
- DT50:
- > 1 600 h
- Type:
- not specified
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- h-1
- DT50:
- > 8 800 h
- Type:
- not specified
- Details on results:
- TEST CONDITIONS
Preliminary test pH4:
The pH of the solution was between 4.00 and 4.02.
The actual temperature during the incubation was between 49.9 °C and 50.0 °C.
Preliminary test pH7:
The pH of the solution was between 6.98 and 7.01.
The actual temperature during the incubation was between 49.9 °C and 50.0 °C.
Preliminary test pH9:
The pH of the solution was between 8.98 and 9.02.
The actual temperature during the incubation was between 49.9 °C and 50.0 °C.
Any other information on results incl. tables
Rate constants of hydrolysis and half life times
pH |
temperature (°C) |
rate constant (h-1) |
rate constant (s-1) |
half life (h) |
4 |
50 |
<0.00043 |
<0.00000012 |
>1600 |
25 |
<0.00008* |
<0.00000002* |
>8800* |
|
7 |
50 |
<0.00043 |
<0.00000012 |
>1600 |
25 |
<0.00008* |
<0.00000002* |
>8800* |
|
9 |
50 |
<0.00043 |
<0.00000012 |
>1600 |
25 |
<0.00008* |
<0.00000002* |
>8800* |
* estimated according to the guideline.
Results of the hydrolysis at 50 °C, pH = 4 (preliminary test)
time of exposure [h] |
pH-value |
concentration |
decrease of the initial concentr. [%] |
0.00 |
4.02 |
0.4789 |
0.0 |
24.00 |
4.00 |
0.4879 |
-1.9 |
120.00 |
4.02 |
0.4741 |
1.0 |
k =<0.00043h-1 t½ =>1600h |
The actual temperature during the incubation was between 49.9 °C and 50.0 °C.
Results of the hydrolysis at 50 °C, pH = 7 (preliminary test)
time of exposure [h] |
pH-value |
concentration |
decrease of the initial concentr. [%] |
0.00 |
7.01 |
0.5230 |
0.0 |
24.00 |
6.98 |
0.5266 |
-0.7 |
120.00 |
6.98 |
0.5306 |
-1.5 |
k =<0.00043h-1 t½ =>1600h |
The actual temperature during the incubation was between 49.9 °C and 50.0 °C.
Results of the hydrolysis at 50 °C, pH = 9 (preliminary test)
time of exposure [h] |
pH-value |
concentration |
decrease of the initial concentr. [%] |
0.00 |
8.98 |
0.5707 |
0.0 |
24.00 |
9.02 |
0.5722 |
-0.3 |
120.00 |
9.01 |
0.5665 |
0.8 |
k =<0.00043h-1 t½ =>1600h |
The actual temperature during the incubation was between 49.9 °C and 50.0 °C.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- Less than 10 % of the test substance at pH 4, pH 7 and pH 9 hydrolysed within 5 days at 50 °C.
According to the Directive it is estimated that the half-life of "3-[(2-aminoethyl)ammonio]propane-1-sulfonate" in aqueous solution at 25 °C is greater than one year for pH 4, pH 7 and pH 9.
"3-[(2-aminoethyl)ammonio]propane-1-sulfonate" is stable to hydrolysis at each pH-value tested. - Executive summary:
The abiotic degradation of the test substance was determined according to the EC-method.
Less than 10 % of the test substance at pH 4, pH 7 and pH 9 hydrolysed within 5 days at 50 °C. According to the Directive it is estimated that the half-life of "3-[(2-aminoethyl)ammonio]propane-1-sulfonate" in aqueous solution at 25 °C is greater than one year for pH 4, pH 7 and pH 9. "3-[(2-aminoethyl)ammonio]propane-1-sulfonate" is stable to hydrolysis at each pH-value tested
and no main tests were performed.
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