Registration Dossier
Registration Dossier
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EC number: 201-066-5 | CAS number: 77-89-4
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- QMRF attached
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- validated QSAR model
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Triethyl O-acetylcitrate
- EC Number:
- 201-066-5
- EC Name:
- Triethyl O-acetylcitrate
- Cas Number:
- 77-89-4
- Molecular formula:
- C14H22O8
- IUPAC Name:
- triethyl 2-acetoxypropane-1,2,3-tricarboxylate
- Reference substance name:
- Acetyl triethyl citrate
- IUPAC Name:
- Acetyl triethyl citrate
- Test material form:
- other: liquid
- Details on test material:
- Acetyl triethyl Citrate, Citroflex A-2. no purity data.
Constituent 1
Constituent 2
Results and discussion
- Dissociating properties:
- no
Dissociation constant
- pKa:
- -6.53
- Temp.:
- 20 °C
Any other information on results incl. tables
The dissociation constant of the substance was estimated based on chemical structure, with a finding of -6.53. This is outside the range of plausible environmental pH values. The interpretation is that the substance does not dissociate under relevant conditions.
Applicant's summary and conclusion
- Conclusions:
- The dissociation constant of the substance was estimated based on chemical structure, with a finding of -6.53. This is outside the range of plausible environmental pH values. The interpretation is that the substance does not dissociate under relevant conditions.
- Executive summary:
The dissociation constant of the substance was estimated based on chemical structure, with a finding of -6.53. This is outside the range of plausible environmental pH values. The interpretation is that the substance does not dissociate under 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.
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