Registration Dossier
Registration Dossier
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EC number: 227-193-6 | CAS number: 5704-04-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Please refer to QPRF/QMRF documentation for detailed information on model suitability.
Data source
Referenceopen allclose all
- Reference Type:
- other: Estimation software
- Title:
- Estimation Programs Interface Suite for Microsoft Windows, v4.11
- Author:
- US EPA
- Year:
- 2 012
- Bibliographic source:
- United States Environmental Protection Agency, Washington DC, USA; November 2012
- Reference Type:
- other: theoretical calculation
- Title:
- Unnamed
- Year:
- 1 995
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- QSAR prediction using KOWWIN v1.68 of EpiSuite v4.1. QSAR calculation is based on the fragment constant methodology.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N-(tri(hydroxymethyl)methyl)glycine
- EC Number:
- 227-193-6
- EC Name:
- N-(tri(hydroxymethyl)methyl)glycine
- Cas Number:
- 5704-04-1
- Molecular formula:
- C6H13NO5
- IUPAC Name:
- 2-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}acetic acid
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- SMILES : O=C(O)CNC(CO)(CO)CO
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -2.87
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not available in QSAR prediction
- Details on results:
- see QPRF/QMRF
Applicant's summary and conclusion
- Conclusions:
- The estimated log Pow = -2.870 for Tricine is very low and suggests hydrophillic properties associated with only a minor potential for adsorption and bioaccumulation.
- Executive summary:
The estimated log Pow = -2.870 for Tricine is very low and suggests hydrophillic properties associated with only a minor potential for adsorption and bioaccumulation.
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