Registration Dossier
Registration Dossier
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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.
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EC number: 807-715-4 | CAS number: 1354569-12-2
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: EPISuite modelling
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: ECHA Guidance R.6 on QSARs and grouping of substances, May 2008
- GLP compliance:
- no
Test material
- Reference substance name:
- 1,4-bis(2-ethylhexyl) (2Z)-2-methylbut-2-enedioate
- EC Number:
- 807-715-4
- Cas Number:
- 1354569-12-2
- Molecular formula:
- C21 H38 O4
- IUPAC Name:
- 1,4-bis(2-ethylhexyl) (2Z)-2-methylbut-2-enedioate
- Reference substance name:
- CC(C(=O)(OCC(CC)CCCC))=CC(=O)(OCC(CC)CCCC)
- IUPAC Name:
- CC(C(=O)(OCC(CC)CCCC))=CC(=O)(OCC(CC)CCCC)
- Test material form:
- other: liquid (calculation)
Constituent 1
Constituent 2
Results and discussion
- Dissociating properties:
- no
Any other information on results incl. tables
Total Kb for pH > 8 at 25 deg C : 4.466E-003 L/mol-sec
Kb Half-Life at pH 8: 4.918 years
Kb Half-Life at pH 7: 49.183 years
Applicant's summary and conclusion
- Conclusions:
- Total Kb for pH > 8 at 25 oC was estimated to be 0.0045 L/mol-sec.
- Executive summary:
Total Kbfor pH > 8 at 25oC was estimated to be 0.0045 L/mol-sec (calculation was based on alkyl substitutes on EPISuite 4.11 HYDROWIN 2.00 software). The method is regonised in the ECHA Guidance R.6 on QSARs and grouping of substances, May 2008. The result was used as weight of evidence for classification and labelling.
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.
