Registration Dossier
Registration Dossier
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EC number: 225-268-8 | CAS number: 4748-78-1
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:
- 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 limited documentation / justification
- Justification for type of information:
- Estimation of the partition coefficient using MPBPWIN v1.42.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The melting point was estimated using the MPBPWIN v1.42 model
- GLP compliance:
- no
- Type of method:
- other: Mean or Weighed PM
- Specific details on test material used for the study:
- - SMILES: O=Cc(ccc(c1)CC)c1
- Molecular Formula: C9H10O1
- Molecular Weight: 134.18 - Key result
- Melting / freezing pt.:
- 7.14 °C
- Remarks on result:
- other: results was estimated by QSAR prediction (MPBPWIN v.1.42))
Reference
Description of key information
The melting point of the test substance was calculated to be 7.14 °C (MPBPWIN v1.42 estimate).
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 7.14 °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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