Registration Dossier
Registration Dossier
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EC number: 265-025-3 | CAS number: 64704-23-0
Melting point / freezing point
Administrative data
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 20 May 2018
- 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: QSAR Model
- Title:
- EPISuite v4.11
- Author:
- US EPA
- Year:
- 2 018
- Bibliographic source:
- United States Environmental Protection Agency
- Report date:
- 2018
- Reference Type:
- publication
- Title:
- A Unified Approach to Physical Property Estimation Using Multivariate Statistical Techniques.
- Author:
- Joback K.G.
- Year:
- 1 982
- Bibliographic source:
- Stevens Institute of Technology, submitted to the Dept. of Chem. Eng. for M.S. Degree at the Massachusetts Institute of Technology in June 1984.
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: 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 MPBPVP (v1.43) of EpiSuite v4.1. QSAR calculation is based on the weighted value of the adapted Jaback Method, Gold and Ogle Method and Joback; Gold, Ogle Methods.
- GLP compliance:
- no
- Type of method:
- other: QSAR calculation
Test material
- Reference substance name:
- Disodium L-cystinate
- EC Number:
- 265-025-3
- EC Name:
- Disodium L-cystinate
- Cas Number:
- 64704-23-0
- Molecular formula:
- C6H10N2Na2O4S2.H2O
- IUPAC Name:
- disodium (2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoate
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- SMILES : O([Na])C(=O)C(N)CSSCC(N)C(=O)O([Na])
Results and discussion
Melting / freezing pointopen allclose all
- Key result
- Melting / freezing pt.:
- ca. 242.17 °C
- Remarks on result:
- other: Mean, weighted value
- Melting / freezing pt.:
- 349.84 °C
- Remarks on result:
- other: Adapted Joback Method
- Melting / freezing pt.:
- 215.25 °C
- Remarks on result:
- other: Gold and Ogle Method
- Melting / freezing pt.:
- 282.55 °C
- Remarks on result:
- other: Joback; Gold,Ogle Methods
Any other information on results incl. tables
See QPRF/QMRF
Applicant's summary and conclusion
- Conclusions:
- The estimated melting point for disodium L-cystinate is 242.17 deg C.
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.
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