Registration Dossier
Registration Dossier
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EC number: 944-951-8 | CAS number: -
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- 1. SOFTWARE: EPIWIN
2. METHOD: MPBPWIN v1.43
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL:
- D-GLUCONAMIDE, N-(3-HYDROXYPROPYL) - CAS# 190445-18-2: HN(C(=O)C(O)C(O)C(O)C(O)CO)CCCO
- PROPANOL AMMONIUM SALT OF GLUCONATE: HN(H)(H)(OC(=O)C(O)C(O)C(O)C(O)CO)CCCO - Principles of method if other than guideline:
- MPBPWIN (v1.43)
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Melting / freezing pt.:
- 222.29 °C
- Atm. press.:
- 1 atm
- Decomposition:
- no
- Sublimation:
- no
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- CAS# 190445-18-2
- Melting / freezing pt.:
- 265.66 °C
- Atm. press.:
- 1 atm
- Decomposition:
- no
- Sublimation:
- no
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- propanol ammonium salt of gluconate
Reference
Description of key information
Based on QSAR estimations, the melting points of the two main constituents D-Gluconamide, N-(3-hydroxypropyl)- and propanol ammonium salt of gluconate are 222 and 266 °C respectively. The melting/freezing point of the 50% solution in water is expected to approach 0 °C. The key value is based on the main constituents and set at > 200 °C.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 200 °C
Additional information
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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