Registration Dossier
Registration Dossier
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EC number: 918-279-0 | CAS number: -
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Remarks:
- melting point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Internationally accepted calculation method, EPI-Suite EPA (USA)
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Calculation by EPI Suite (Mean or Weighted MP) , MPBPVP (v.1.43)
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES : CN(C)C3CC(C)OC(OC2C(C)C(OC1CC(C)(OC)C(O)C(C)O1)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=NO)C(C)CC2(C)OC)C3O
- Key result
- Melting / freezing pt.:
- 349.84 °C
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The estimated melting point of the substance is 349.84 ºC (EPI-Suite, MPBPVP v1.43).
- Executive summary:
The estimated melting point of the substance is 349.84 ºC (EPI-Suite, MPBPVP v1.43).
Reference
MPBPVP (v.1.43) predicted that (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)-oxy]-14-ethyl-,12,13-dihydroxy-10-(E)-hydroxyimino-3,5,7,9,11,13-hexamethyl-7-O-methyl--6-{[[3,4,6-trideoxy-3-(dimethylamino)- β-D-xylo-hexopyranosyl]oxy}oxacyclotetradecane-2 -one has a melting point = 349.84 ºC.
Description of key information
Key study: Internationally accepted calculation method, EPI-Suite EPA (USA). The estimated melting point of the substance is 349.84 ºC (EPI-Suite, MPBPVP v1.43).
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 349.84 °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.
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.
