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: 217-803-9 | CAS number: 1962-75-0
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: 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 Ionizaiton pKa's.
- Author:
- Hilal SH, Karickhoff SW
- Year:
- 1 995
- Bibliographic source:
- Quant. Struct. Act. Relat., (1995) 14, pp.348-355, as implemented in SPARC, March 2008 release w. 4.2.1405-s.4.2.1408
Materials and methods
Test guideline
- Guideline:
- other: QSAR (SPARC) used for estimation, in accordance with REACH Annex XI.
- Principles of method if other than guideline:
- Estimated using SPARC Software
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Dibutyl terephthalate
- EC Number:
- 217-803-9
- EC Name:
- Dibutyl terephthalate
- Cas Number:
- 1962-75-0
- Molecular formula:
- C16H22O4
- IUPAC Name:
- 1,4-dibutyl benzene-1,4-dicarboxylate
Constituent 1
Results and discussion
- Dissociating properties:
- no
Dissociation constant
- pKa:
- -5.3
- Temp.:
- 25 °C
Applicant's summary and conclusion
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.
