Registration Dossier
Registration Dossier
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EC number: 700-166-0 | CAS number: 1333311-43-5
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Handbooks are suposed to be reliable sources of data.
Data source
Reference
- Reference Type:
- review article or handbook
- Title:
- Critical Stablility constants. Volume 1: Amino Acids
- Author:
- Martell & Smith
- Year:
- 1 974
- Bibliographic source:
- Plenum Press, New York
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Deviations:
- no
- GLP compliance:
- not specified
Test material
- Reference substance name:
- trans-cyclohexane-1,2-dinitrilotetraacetic acid
- EC Number:
- 236-308-9
- EC Name:
- trans-cyclohexane-1,2-dinitrilotetraacetic acid
- Cas Number:
- 13291-61-7
- IUPAC Name:
- 2,2',2'',2'''-(cyclohexane-1,2-diyldinitrilo)tetraacetic acid
- Reference substance name:
- trans-CDTA acid
- IUPAC Name:
- trans-CDTA acid
- Reference substance name:
- Cyclohex-1,2-ylenediaminetetra(acetic acid)
- EC Number:
- 207-582-7
- EC Name:
- Cyclohex-1,2-ylenediaminetetra(acetic acid)
- Cas Number:
- 482-54-2
- IUPAC Name:
- 2,2',2'',2'''-(cyclohexane-1,2-diyldinitrilo)tetraacetic acid
- Reference substance name:
- 1,2-diaminecyclohexane tetracetic acid
- IUPAC Name:
- 1,2-diaminecyclohexane tetracetic acid
- Details on test material:
- - Name of test material (as cited in study report): 1,2-diaminecyclohexane tetraacetic acid
- Molecular formula (if other than submission substance): C14H22N2O8
- Molecular weight (if other than submission substance): 346 g/mol
- Smiles notation (if other than submission substance): N([C@@H]1[C@@H](N(CC(=O)O)CC(=O)O)CCCC1)(CC(=O)O)CC(=O)O
- InChl (if other than submission substance): InChI=1/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-/m0/s1
- Substance type: Sequestering agent
- Physical state: solid
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Results and discussion
- Dissociating properties:
- yes
Dissociation constantopen allclose all
- No.:
- #1
- pKa:
- 2.42
- Temp.:
- 20 °C
- No.:
- #2
- pKa:
- 3.53
- Temp.:
- 20 °C
- No.:
- #3
- pKa:
- 6.15
- Temp.:
- 20 °C
- No.:
- #4
- pKa:
- 12.4
- Temp.:
- 20 °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.
