Registration Dossier
Registration Dossier
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EC number: 618-829-7 | CAS number: 922165-31-9
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Study period:
- 28 March-27 June 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Estimation but sufficiciently reliable considering the result (no Pka in range 1-14)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation was performed using the Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International, San Francisco, CA, USA).
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- 1,4-bis[2-(2-ethoxyethoxy)ethyl] cyclohexane-1,4-dicarboxylate
- EC Number:
- 618-829-7
- Cas Number:
- 922165-31-9
- Molecular formula:
- C20H36O8
- IUPAC Name:
- 1,4-bis[2-(2-ethoxyethoxy)ethyl] cyclohexane-1,4-dicarboxylate
- Details on test material:
- Identification: Neosolue-Aqulio
Molecular formula: C20H36O8
Molecular structure: see 'reference substance' section 1
Molecular weight: 404.5
CAS Number: 922165-31-9
Description: Clear colourless to very pale yellow liquid
Batch: TVI-714
Purity: 99.5% (GC)
Test substance storage: At room temperature in the dark
Stability under storage conditions: Stable
Expiry date: 07 October 2012 (Retest date)
Constituent 1
Results and discussion
- Dissociating properties:
- no
Any other information on results incl. tables
No pKa values for acidic and basic groups in the molecular structure of the test substance were calculated in the logarithm range of 1 - 14.
Applicant's summary and conclusion
- Conclusions:
- No pKa values for acidic and basic groups in the molecular structure of the test substance were calculated in the logarithm range of 1 - 14.
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