Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 606-744-8 | CAS number: 213464-77-8
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2000
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- GLP compliance:
- yes
- Specific details on test material used for the study:
- IR5878 (unlabelled substance)
98.72% pure
Batch number 20398/70/A
IR5878 (radiolabelled) - Radiolabelling:
- yes
- Analytical monitoring:
- yes
- Details on sampling:
- At chosen sampling times each sample was directly analysed by LSC to establish the radioactivity content and by TLC and HPLC to profile the radiolabelled hydrolysis compounds.
- Buffers:
- pH4: 0.01M acetate
0.1476g of sodium acetate were weighed into 1L flask and disolved with 500mL CO2 free distilled water. The pH was adjusted to 4.0 with 4.69mL of 1.75N acetic acid.
pH7: 0.01M citrate
1.921g of citric acid dissoled with 250mL of CO2 free distilled water. PH was adjusted to 7 with 285mL of 0.1N sodium hydroxide.
pH9:0.01M borate
0.620g boric acid and 0.746g of potassium chloride dissolved with 500mL CO2 free distilled water. pH was adjusted to 9.0 with 43mL of 0.1N sodium hydroxide. - Details on test conditions:
- Sterile conditions
50C
In darkness - Transformation products:
- yes
- No.:
- #1
- No.:
- #2
- No.:
- #3
- No.:
- #4
- Details on hydrolysis and appearance of transformation product(s):
- The profile of hydrolysis samples at each pH value showed the presence of four compounds name H1, H2, H3 and H4. Compound H3 was unchanged IR5878.
- % Recovery:
- ca. 0
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- ca. 1 d
- % Recovery:
- ca. 32.91
- pH:
- 7
- Temp.:
- 25 °C
- Duration:
- ca. 37 d
- % Recovery:
- ca. 3.12
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- ca. 166 h
- % Recovery:
- ca. 56.19
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- ca. 176 d
- % Recovery:
- ca. 6.85
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- ca. 29 d
- Key result
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- ca. 1.602 h-1
- DT50:
- ca. 0.43 h
- Key result
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- ca. 0.02 h-1
- DT50:
- ca. 35.36 h
- Key result
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- ca. 0.087 h-1
- DT50:
- ca. 7.96 d
- Key result
- pH:
- 7
- Temp.:
- 25
- Hydrolysis rate constant:
- ca. 0.028 h-1
- DT50:
- ca. 24.4 d
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- ca. 0.003 h-1
- DT50:
- ca. 227.96 d
- Validity criteria fulfilled:
- yes
- Conclusions:
- Degradation of IR5878 was observed at each pH value. Degradation was faster at pH4 but was also significant at pH 7 and pH9. A pseudo first order kinetic hydrolysis reaction was always defined.
The profile of hydrolysis samples at each pH value showed the presence of four compounds named H1, H2, H3, H4. Compound H3 was idenitified as unchanged IR5878, H1 was DBS acid, H2 was DBS amide and H4 was DB amine.
pH kobs DT50
4 at 50°C 1.602 h-1 0.43 h
7 at 50°C 0.0196 h-1 35.36 h
9 at 50°C 0.0871 d-1 7.96 d
7 at 25°C 0.0284 d-1 24.40 d
9 at 25°C 0.00304 d-1 227.96 d
h = hours; d = days - Executive summary:
Hydrolysis rate of purified active substance at pH values 4, 7 and 9 under sterile conditions in the absence of light was investigated according to EEC method C7. Rate of hydrolysis and half life were found to be as summarised in the table below:
pH
kobs
DT50
4 at 50C
1.602 h-1
0.43h
7 at 50C
0.0196 h-1
35.36 h
9 at 50C
0.0871 d-1
7.96 d
7 at 25C
0.0284 d-1
24.40 d
9 at 25C
0.00304 d-1
227.96 d
h = hours; d = days
Reference
Hydrolysis rate of purified active substance at pH values 4, 7 and 9 under sterile conditions in the absence of light was investigated according to EEC method C7. Rate of hydrolysis and half life were found to be as summarised in the table below:
pH |
kobs |
DT50 |
4 at 50C |
1.602 h-1 |
0.43h |
7 at 50C |
0.0196 h-1 |
35.36 h |
9 at 50C |
0.0871 d-1 |
7.96 d |
7 at 25C |
0.0284 d-1 |
24.40 d |
9 at 25C |
0.00304 d-1 |
227.96 d |
h = hours; d = days |
||
Description of key information
Hydrolysis rate of purified active substance at pH values 4, 7 and 9 under sterile conditions in the absence of light was investigated according to EEC method C7. Rate of hydrolysis and half life were found to be as summarised in the table below:
pH |
kobs |
DT50 |
4 at 50C |
1.602 h-1 |
0.43h |
7 at 50C |
0.0196 h-1 |
35.36 h |
9 at 50C |
0.0871 d-1 |
7.96 d |
7 at 25C |
0.0284 d-1 |
24.40 d |
9 at 25C |
0.00304 d-1 |
227.96 d |
h = hours; d = days |
||
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 24.4 d
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
