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EC number: 944-336-4 | CAS number: -
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
ARChem SPARC. version 4.6
2. MODEL
Hydrolysis
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables".
5. APPLICABILITY DOMAIN
See information provided in "Any other information of materials and methods incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: SPARC v4.6
- Model(s) used: Hydrolysis (calculation with use of SPARC online calculator v4.6, chemical reactivity models for estimation of hydrolysis rate constant.)
- Model description: see field 'Any other information on materials and methods incl. tables'.
- Justification of QSAR prediction: see field 'Justification for type of information' and 'overall remarks'. - GLP compliance:
- no
- Estimation method (if used):
- - Temperature for which rate constant was calculated: 25 °C
- Computer programme: SPARC v4.6 - Transformation products:
- not specified
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- 3 589.35 d
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 29.258 d
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 2.926 d
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- 0.293 d
- Endpoint:
- hydrolysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
ARChem SPARC. version 4.6
2. MODEL
Hydrolysis
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables".
5. APPLICABILITY DOMAIN
See information provided in "Any other information of materials and methods incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: SPARC v4.6
- Model(s) used: Hydrolysis (calculation with use of SPARC online calculator v4.6, chemical reactivity models for estimation of hydrolysis rate constant.)
- Model description: see field 'Any other information on materials and methods incl. tables'.
- Justification of QSAR prediction: see field 'Justification for type of information' and 'overall remarks'. - GLP compliance:
- no
- Estimation method (if used):
- - Temperature for which rate constant was calculated: 25 °C
- Computer programme: SPARC v4.6 - Transformation products:
- not specified
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- 3 422.247 d
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 21.4 d
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 2.14 d
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- 0.214 d
- Endpoint:
- hydrolysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
ARChem SPARC. version 4.6
2. MODEL
Hydrolysis
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables".
5. APPLICABILITY DOMAIN
See information provided in "Any other information of materials and methods incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: SPARC v4.6
- Model(s) used: Hydrolysis (calculation with use of SPARC online calculator v4.6, chemical reactivity models for estimation of hydrolysis rate constant.)
- Model description: see field 'Any other information on materials and methods incl. tables'.
- Justification of QSAR prediction: see field 'Justification for type of information' and 'overall remarks'. - GLP compliance:
- no
- Estimation method (if used):
- - Temperature for which rate constant was calculated: 25 °C
- Computer programme: SPARC v4.6 - Transformation products:
- not specified
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- 3 270.002 d
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 16.869 d
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 1.687 d
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- 0.169 d
- Endpoint:
- hydrolysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
ARChem SPARC. version 4.6
2. MODEL
Hydrolysis
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables".
5. APPLICABILITY DOMAIN
See information provided in "Any other information of materials and methods incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: SPARC v4.6
- Model(s) used: Hydrolysis (calculation with use of SPARC online calculator v4.6, chemical reactivity models for estimation of hydrolysis rate constant.)
- Model description: see field 'Any other information on materials and methods incl. tables'.
- Justification of QSAR prediction: see field 'Justification for type of information' and 'overall remarks'. - GLP compliance:
- no
- Estimation method (if used):
- - Temperature for which rate constant was calculated: 25 °C
- Computer programme: SPARC v4.6 - Transformation products:
- not specified
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- 1 086.151 d
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 20.427 d
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 2.043 d
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- 0.204 d
Referenceopen allclose all
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
Description of key information
1086.151 to 3589.350 days at pH 4
16.869 to 29.258 days at pH 7
1.687 to 2.926 days at pH 8
0.169 to 0.293 days at pH 9
Key value for chemical safety assessment
Additional information
The potential for abiotic degradation via hydrolysis was calculated for the four main constituents of the substance using the hydrolysis model incorporated in the calculator SPARC v4.6 including a temperature of 25 °C. The calculated half- lives were 1086.15 to 3589.35 d at pH 4, 16.87 to 29.26 d at pH 7, 1.69 to 2.93 d at pH 8 and 0.17 to 0.30 d at pH 9. The results show that the half-life of the components decreases with increasing pH. Based on these values hydrolysis of the substance is possible at environmentally relevant conditions.
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.
