Registration Dossier
Registration Dossier
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EC number: 229-176-9 | CAS number: 6422-86-2
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- May 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Dissociation constant estimated using QSAR (SPARC software), in accordance with REACH Annex XI.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- publication
- Title:
- A rigorous test for SPARC's chemical reactivity models: Estimation of more than 4300 ionization pKa's.
- Author:
- Hilal SH, Karickhoff SW
- Year:
- 1 995
- Bibliographic source:
- Quant. Struct.. Act. Relat. (1995) 14, pp. 348-355, as implented by SPARC.
Materials and methods
Test guideline
- Guideline:
- other: QSAR (SPARC) used and acceptable in accordance with REACH Annex XI.
- Principles of method if other than guideline:
- QSAR used (SPARC)
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Bis(2-ethylhexyl) terephthalate
- EC Number:
- 229-176-9
- EC Name:
- Bis(2-ethylhexyl) terephthalate
- Cas Number:
- 6422-86-2
- Molecular formula:
- C24H38O4
- IUPAC Name:
- 1,4-bis(2-ethylhexyl) benzene-1,4-dicarboxylate
Constituent 1
Results and discussion
- Dissociating properties:
- no
Dissociation constant
- pKa:
- -5.3
Applicant's summary and conclusion
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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.
