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EC number: 700-174-4 | CAS number: 1029600-34-7
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1st of to the 28th of April 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of relevant results.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: 21/08/07 Date of signature: 15/10/07
Test material
- Reference substance name:
- Reaction mass of :Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(Z)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)
- EC Number:
- 700-174-4
- Cas Number:
- 1029600-34-7
- Molecular formula:
- See structure.
- IUPAC Name:
- Reaction mass of :Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(Z)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)
- Reference substance name:
- Reaction mass of : Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(Z)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)
- IUPAC Name:
- Reaction mass of : Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(Z)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [3-{(E)-[2-(hydroxy-kO)-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-4-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-) Sodium or ammonium [1-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO][3-{(E)-[2-(hydroxy-kO)-5-nitrophenyl]diazenyl}naphthalen-2-olato(2-)-kO]chromate(1-)
- Details on test material:
- Sponsor's identification : VCBK3810
Description : black powder
Lot number : N006746
Date received : 25 February 2008
Storage conditions : room temperature, in the dark
Constituent 1
Constituent 2
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products: 0, 2.4, 24 + 120 hours
- Sampling method:
Sample solutions were prepared in stoppered glass flasks at a nominal concentration of 4 x 10-3 g/l in the three buffer solutions. A 1% co-solvent of acetonitrile was used to aid solubility.
The test solutions were split into individual vessels for each data point.
- Sampling methods for the volatile compounds, if any: not applicable
- Sampling intervals/times for pH measurements: at 0, 2.4, 24 and 120 hours
- Sampling intervals/times for sterility check: not stated
- Sample storage conditions before analysis: Sample solutions at pH 4, 7 and 9 were maintained at 50.0 ± 0.5°C for a period of 120 hours. The solutions were shielded from light whilst maintained at the test temperature.
- Other observation, if any (e.g.: precipitation, color change etc.): none - Buffers:
- - pH: 4, 7 and 10
- Type and final molarity of buffer:
pH 4 Potassium hydrogen phthalate 0.05
pH 7 Disodium hydrogen orthophosphate (anhydrous) 0.03
Potassium dihydrogen orthophosphate 0.02
Sodium chloride 0.02
pH 9 Disodium tetraborate 0.01
Sodium chloride 0.02
- Composition of buffer: see above - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: stoppered glass flasks
- Sterilisation method: The buffer solutions were filtered through a 0.2 µm membrane filter to ensure they were sterile.
- Lighting: The solutions were shielded from light whilst maintained at the test temperature.
- Measures taken to avoid photolytic effects: shielded from light
- Measures to exclude oxygen: Flasks were stoppered
- Details on test procedure for unstable compounds: not applicable
- Details of traps for volatile, if any not applicable
- If no traps were used, is the test system: not applicable
- Is there any indication of the test material adsorbing to the walls of the test apparatus? Not applicable
TEST MEDIUM
- Volume used/treatment: not stated
- Kind and purity of water: not stated
- Preparation of test medium: not stated
- Renewal of test solution: not applicable
- Identity and concentration of co-solvent: acetonitrile
OTHER TEST CONDITIONS
- Adjustment of pH: Yes adjusted to pH 4, 7 and 9
- Dissolved oxygen: not stated
Duration of testopen allclose all
- Duration:
- 0 h
- pH:
- 4
- Temp.:
- 50
- Initial conc. measured:
- >= 0.003 - <= 0.003 g/L
- Duration:
- 120 h
- pH:
- 4
- Temp.:
- 50
- Initial conc. measured:
- >= 0.002 - <= 0.004 g/L
- Duration:
- 0 h
- pH:
- 7
- Temp.:
- 50
- Initial conc. measured:
- >= 0.004 - <= 0.004 g/L
- Duration:
- 120 h
- pH:
- 7
- Temp.:
- 50
- Initial conc. measured:
- 0.004 - 0.004 g/L
- Duration:
- 0 h
- pH:
- 9
- Temp.:
- 50
- Initial conc. measured:
- >= 0.004 - <= 0.004 g/L
- Duration:
- 120 h
- pH:
- 9
- Temp.:
- 50
- Initial conc. measured:
- 0.003 - 0.004 g/L
- Number of replicates:
- 2
- Positive controls:
- no
- Negative controls:
- no
Results and discussion
- Preliminary study:
- pH4: Less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
pH7: Less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
pH9: Approximately 10% hydrolysis after 5 days at 50°C, equivalent to a half-life of approximately 1 year at 25°C. - Test performance:
- The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 4 mg/l for all three pH analysis matrices. These were satisfactory with a correlation coefficient of greater than or equal to 0.997 being obtained.
- Transformation products:
- not measured
- Details on hydrolysis and appearance of transformation product(s):
- not applicable as no transformation products
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Remarks on result:
- other: group 1
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Remarks on result:
- other: group 1
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Remarks on result:
- other: group 1
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Remarks on result:
- other: group 2
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Remarks on result:
- other: group 2
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- ca. 1 yr
- Remarks on result:
- other: group 2
- Other kinetic parameters:
- not applicable
- Details on results:
- See the preliminary study results
Any other information on results incl. tables
The test material concentrations at the given time points are shown in the following tables:
pH 4 at 50.0 ± 0.5ºC, Group 1 Analysis
|
Time (Hours) |
|||
0 |
2.4 |
24 |
120 |
|
Concentration (g/l) |
3.46 x 10-3 |
3.58 x 10-3 |
3.19 x 10-3 |
3.13 x 10-3 |
% of mean initial concentration |
100 |
103 |
92.0 |
90.3 |
Result: Less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C
pH 4 at 50.0 ± 0.5ºC, Group 2 Analysis
|
Time (Hours) |
||||||||
0 |
2.4 |
24 |
120 |
||||||
Concentration (g/l) |
3.71 x 10-3 |
3.60 x 10-3 |
2.74 x 10-3 |
1.79 x 10-3 |
|||||
% of mean initial concentration |
100 |
97.0 |
73.9 |
48.1 |
|||||
Result:
The preliminary test indicated hydrolysis of this lesser component(s) of the test material.
pH 7 at 50.0 ± 0.5ºC, Group 1 Analysis
|
Time (Hours) |
||||||||
0 |
2.4 |
24 |
120 |
||||||
Concentration (g/l) |
3.81 x 10-3 |
3.60 x 10-3 |
3.73 x 10-3 |
3.75 x 10-3 |
|||||
% of mean initial concentration |
100 |
94.6 |
98.0 |
98.4 |
|||||
Result: Less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
pH 7 at 50.0 ± 0.5ºC, Group 2 Analysis
|
Time (Hours) |
||||||||
0 |
2.4 |
24 |
120 |
||||||
Concentration (g/l) |
3.71 x 10-3 |
3.66 x 10-3 |
3.60 x 10-3 |
3.51 x 10-3 |
|||||
% of mean initial concentration |
100 |
98.8 |
97.0 |
94.7 |
|||||
Result: Less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
pH 9 at 50.0 ± 0.5ºC, Group 1 Analysis
|
Time (Hours) |
||||||||
0 |
2.4 |
24 |
120 |
||||||
Concentration (g/l) |
3.83 x 10-3 |
3.74 x 10-3 |
3.98 x 10-3 |
3.67 x 10-3 |
|||||
% of mean initial concentration |
100 |
97.7 |
104 |
95.9 |
|||||
Result: Less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
pH 9 at 50.0 ± 0.5ºC, Group 2 Analysis
|
Time (Hours) |
||||||||
0 |
2.4 |
24 |
120 |
||||||
Concentration (g/l) |
3.72 x 10-3 |
3.84 x 10-3 |
3.74 x 10-3 |
3.27 x 10-3 |
|||||
% of mean initial concentration |
100 |
103 |
100 |
87.9 |
|||||
Result: Approximately 10% hydrolysis after 5 days at 50°C, equivalent to a half-life of approximately 1 year at 25°
Discussion:
No significant peaks were observed at the approximate retention time of the test material on analysis of any matrix blank solutions.
In the absence of definitive purity values for the test material, all calculated concentration values have been reported as equivalent test material concentrations. That is, the concentration calculated for any individual group/component is equivalent to that specified concentration of test material having been successfully dissolved. The test material has been quantified separately for the two distinct groups of peaks eluting at approximately 5 minutes and 9 minutes respectively.
During the preliminary test, peak 2 appeared susceptible to hydrolysis at pH 4 and therefore Test 1 was initiated. However the resulting correlation (r = 0.875) was extremely disappointing, and the rate of hydrolysis was also inconsistent with that observed during the preliminary test. Therefore, as it was concluded that the rate constant could not be accurately determined for this minor component in the test material, testing was terminated, as extrapolation of the half-life at 25°C by the use of the Arrhenius equation no longer remained a valid option.
This was not considered significant since the second peak represented only minor components in the test material. Although typically approximately 36% by percentage area normalization in the standard solutions, due to reduced solubility characteristics, the components represented by the second peak were only present at approximately 15% by percentage area normalization in saturated aqueous solutions. Also, these components were demonstrated to be hydrolytically stable at pH 7 and pH 9, more critical to environmental/ecotoxicity assessments. It is possible that the determination was hampered by differing hydrolysis rates for individual components containing the dimethylpropyl group substitution, as it was believed that the second peak originated from the co-elution of a number of separate components.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The estimated half-life at 25°C of the test material are shown in the following table:
pH Estimated half-life at 25°C
Group 1 Group 2
4 > 1 year > 1 year
7 > 1 year > 1 year
9 > 1 year Approximately 1 year
- Executive summary:
Abiotic Degradation, Hydrolysis as a Function of pH: Assessment of hydrolytic stability was carried out using Method C7 of Commission Directive 92/69/EEC. The results are as follows:
pH
Estimated half-life at 25°C
Group 1
Group 2
4
>1 year
Less than 1 year
7
>1 year
>1 year
9
>1 year
Approximately 1 year
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